N-[2-[[difluoromethyl-[5-fluoro-2-[(2-oxo-1,3-dihydroindol-6-yl)amino]pyrimidin-4-yl]amino]methyl]-6-methyl-1H-pyridin-2-yl]-N-methylmethanesulfonamide

Update Time: 2025-04-25 16:33:36

	Common Name	N-[2-[[difluoromethyl-[5-fluoro-2-[(2-oxo-1,3-dihydroindol-6-yl)amino]pyrimidin-4-yl]amino]methyl]-6-methyl-1H-pyridin-2-yl]-N-methylmethanesulfonamide	English Name	N-[2-[[difluoromethyl-[5-fluoro-2-[(2-oxo-1,3-dihydroindol-6-yl)amino]pyrimidin-4-yl]amino]methyl]-6-methyl-1H-pyridin-2-yl]-N-methylmethanesulfonamide
	CAS NO.	N/A	Molecular Weight	523.5
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₂H₂₄F₃N₇O₃S	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A
	Symbol	N/A	Signal Word	N/A

Properties

English Name	N-[2-[[difluoromethyl-[5-fluoro-2-[(2-oxo-1,3-dihydroindol-6-yl)amino]pyrimidin-4-yl]amino]methyl]-6-methyl-1H-pyridin-2-yl]-N-methylmethanesulfonamide

Molecular Formula	C22H24F3N7O3S
Molecular Weight	523.5
Exact Mass	523.16134331
LogP	3.00
Standard SMILES	CC1=CC=CC(CN(c2nc(Nc3ccc4c(c3)NC(=O)C4)ncc2F)C(F)F)(N(C)S(C)(=O)=O)N1
Canonical SMILES	CC1=CC=CC(N1)(CN(C2=NC(=NC=C2F)NC3=CC4=C(CC(=O)N4)C=C3)C(F)F)N(C)S(=O)(=O)C
Isomeric SMILES	CC1=CC=CC(N1)(CN(C2=NC(=NC=C2F)NC3=CC4=C(CC(=O)N4)C=C3)C(F)F)N(C)S(=O)(=O)C
Standard InChI Identifier	InChI=1S/C22H24F3N7O3S/c1-13-5-4-8-22(30-13,31(2)36(3,34)35)12-32(20(24)25)19-16(23)11-26-21(29-19)27-15-7-6-14-9-18(33)28-17(14)10-15/h4-8,10-11,20,30H,9,12H2,1-3H3,(H,28,33)(H,26,27,29)
Standard InChI Key	MHZSPXMPCQXRGR-UHFFFAOYSA-N
Compound Complexity	992.00
computational chemistry	Hydrogen Bond Acceptor Count：12 Hydrogen Bond Donor Count：3 Rotatable Bond Count：8 Heavy Atom Count：36 Total Chiral Atom Count：1 Defined Chiral Atom Count：0 Undefined Chiral Atom Count：1 Total Chiral Bond Count：0 Defined Chiral Bond Count：0 Undefined Chiral Bond Count：0 Isotope Atom Count：0 Covalent Unit Count：1 Tautomer Count：-1 Monoisotopic Mass：523.16134331