6-[8-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-5-fluoro-N-methylpyridine-3-carboxamide

C24H22FN7O3 — CID 134325509

IUPAC6-[8-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-5-fluoro-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(-n2c(=O)n(C)c3cnc4cc(OC)c(-c5cn(C)nc5C)cc4c32)c(F)c1
InChIInChI=1S/C24H22FN7O3/c1-12-16(11-30(3)29-12)14-7-15-18(8-20(14)35-5)27-10-19-21(15)32(24(34)31(19)4)22-17(25)6-13(9-28-22)23(33)26-2/h6-11H,1-5H3,(H,26,33)
InChIKeyMOJRPHLPRSKOFV-UHFFFAOYSA-N
MW475.48 g/mol
LogP2.49
Rot. Bonds4

About 6-[8-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-5-fluoro-N-methylpyridine-3-carboxamide

6-[8-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-5-fluoro-N-methylpyridine-3-carboxamide (PubChem CID 134325509) has the molecular formula C24H22FN7O3 and a molecular weight of 475.48 g/mol. Its IUPAC name is 6-[8-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-5-fluoro-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[8-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-5-fluoro-N-methylpyridine-3-carboxamide
PubChem CID134325509
Molecular FormulaC24H22FN7O3
Molecular Weight475.48 g/mol
Exact Mass475.18
IUPAC Name6-[8-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-5-fluoro-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(-n2c(=O)n(C)c3cnc4cc(OC)c(-c5cn(C)nc5C)cc4c32)c(F)c1
InChIInChI=1S/C24H22FN7O3/c1-12-16(11-30(3)29-12)14-7-15-18(8-20(14)35-5)27-10-19-21(15)32(24(34)31(19)4)22-17(25)6-13(9-28-22)23(33)26-2/h6-11H,1-5H3,(H,26,33)
InChIKeyMOJRPHLPRSKOFV-UHFFFAOYSA-N
XLogP2.49
TPSA108.86 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.48
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[8-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-5-fluoro-N-methylpyridine-3-carboxamide?
The IUPAC name of 6-[8-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-5-fluoro-N-methylpyridine-3-carboxamide (CID 134325509) is 6-[8-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-5-fluoro-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-[8-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-5-fluoro-N-methylpyridine-3-carboxamide?
The canonical SMILES for 6-[8-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-5-fluoro-N-methylpyridine-3-carboxamide is CNC(=O)c1cnc(-n2c(=O)n(C)c3cnc4cc(OC)c(-c5cn(C)nc5C)cc4c32)c(F)c1.
What is the InChIKey of 6-[8-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-5-fluoro-N-methylpyridine-3-carboxamide?
The InChIKey is MOJRPHLPRSKOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN7O3/c1-12-16(11-30(3)29-12)14-7-15-18(8-20(14)35-5)27-10-19-21(15)32(24(34)31(19)4)22-17(25)6-13(9-28-22)23(33)26-2/h6-11H,1-5H3,(H,26,33).
What are the key properties of 6-[8-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-5-fluoro-N-methylpyridine-3-carboxamide?
6-[8-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-5-fluoro-N-methylpyridine-3-carboxamide has a molecular weight of 475.48 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[8-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-5-fluoro-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 134325509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).