N-[2-(4-fluorophenyl)-4-oxo-3H-pyrazol-5-yl]-1-hydroxy-5'-oxospiro[cyclohexane-4,7'-furo[3,4-b]pyridine]-1-carboxamide

Update Time: 2025-04-25 16:31:57

	Common Name	N-[2-(4-fluorophenyl)-4-oxo-3H-pyrazol-5-yl]-1-hydroxy-5'-oxospiro[cyclohexane-4,7'-furo[3,4-b]pyridine]-1-carboxamide	English Name	N-[2-(4-fluorophenyl)-4-oxo-3H-pyrazol-5-yl]-1-hydroxy-5'-oxospiro[cyclohexane-4,7'-furo[3,4-b]pyridine]-1-carboxamide
	CAS NO.	N/A	Molecular Weight	438.4
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₂H₁₉FN₄O₅	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A
	Symbol	N/A	Signal Word	N/A

Properties

English Name	N-[2-(4-fluorophenyl)-4-oxo-3H-pyrazol-5-yl]-1-hydroxy-5'-oxospiro[cyclohexane-4,7'-furo[3,4-b]pyridine]-1-carboxamide

Molecular Formula	C22H19FN4O5
Molecular Weight	438.4
Exact Mass	438.13394788
LogP	1.50
Standard SMILES	O=C1CN(c2ccc(F)cc2)N=C1NC(=O)C1(O)CCC2(CC1)OC(=O)c1cccnc12
Canonical SMILES	C1CC(CCC12C3=C(C=CC=N3)C(=O)O2)(C(=O)NC4=NN(CC4=O)C5=CC=C(C=C5)F)O
Isomeric SMILES	C1CC(CCC12C3=C(C=CC=N3)C(=O)O2)(C(=O)NC4=NN(CC4=O)C5=CC=C(C=C5)F)O
Standard InChI Identifier	InChI=1S/C22H19FN4O5/c23-13-3-5-14(6-4-13)27-12-16(28)18(26-27)25-20(30)21(31)7-9-22(10-8-21)17-15(19(29)32-22)2-1-11-24-17/h1-6,11,31H,7-10,12H2,(H,25,26,30)
Standard InChI Key	VVSPYGQQNFGUOS-UHFFFAOYSA-N
Compound Complexity	832.00
computational chemistry	Hydrogen Bond Acceptor Count：9 Hydrogen Bond Donor Count：2 Rotatable Bond Count：3 Heavy Atom Count：32 Total Chiral Atom Count：0 Defined Chiral Atom Count：0 Undefined Chiral Atom Count：0 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：438.13394788