8-(1,3-dimethylpyrazol-4-yl)-1-(5-fluoro-3-methoxy-2-methyl-2,3-dihydropyridin-4-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one

C24H25FN6O3 — CID 170013527

IUPAC8-(1,3-dimethylpyrazol-4-yl)-1-(5-fluoro-3-methoxy-2-methyl-2,3-dihydropyridin-4-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3c(c2cc1-c1cn(C)nc1C)n(C1=C(F)C=NC(C)C1OC)c(=O)n3C
InChIInChI=1S/C24H25FN6O3/c1-12-16(11-29(3)28-12)14-7-15-18(8-20(14)33-5)27-10-19-21(15)31(24(32)30(19)4)22-17(25)9-26-13(2)23(22)34-6/h7-11,13,23H,1-6H3
InChIKeyHYHRAIZSKBUPJN-UHFFFAOYSA-N
MW464.50 g/mol
LogP3.23
Rot. Bonds4

About 8-(1,3-dimethylpyrazol-4-yl)-1-(5-fluoro-3-methoxy-2-methyl-2,3-dihydropyridin-4-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one

8-(1,3-dimethylpyrazol-4-yl)-1-(5-fluoro-3-methoxy-2-methyl-2,3-dihydropyridin-4-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one (PubChem CID 170013527) has the molecular formula C24H25FN6O3 and a molecular weight of 464.50 g/mol. Its IUPAC name is 8-(1,3-dimethylpyrazol-4-yl)-1-(5-fluoro-3-methoxy-2-methyl-2,3-dihydropyridin-4-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-(1,3-dimethylpyrazol-4-yl)-1-(5-fluoro-3-methoxy-2-methyl-2,3-dihydropyridin-4-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one
PubChem CID170013527
Molecular FormulaC24H25FN6O3
Molecular Weight464.50 g/mol
Exact Mass464.20
IUPAC Name8-(1,3-dimethylpyrazol-4-yl)-1-(5-fluoro-3-methoxy-2-methyl-2,3-dihydropyridin-4-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3c(c2cc1-c1cn(C)nc1C)n(C1=C(F)C=NC(C)C1OC)c(=O)n3C
InChIInChI=1S/C24H25FN6O3/c1-12-16(11-29(3)28-12)14-7-15-18(8-20(14)33-5)27-10-19-21(15)31(24(32)30(19)4)22-17(25)9-26-13(2)23(22)34-6/h7-11,13,23H,1-6H3
InChIKeyHYHRAIZSKBUPJN-UHFFFAOYSA-N
XLogP3.23
TPSA88.46 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.50
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

8-(1,3-dimethylpyrazol-4-yl)-1-(4-fluoro-2-methoxy-1H-pyrrol-3-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one
CID 155160544
8-(1,3-dimethylpyrazol-4-yl)-1-(3-ethoxy-5-fluoro-4-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one
CID 148708079
1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(1-methyltriazol-4-yl)imidazo[4,5-c]quinolin-2-one
CID 134325522
1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(2-methyl-3H-benzimidazol-5-yl)imidazo[4,5-c]quinolin-2-one
CID 122589401
1-(3,5-difluoro-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
CID 122589435
1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methyltriazol-4-yl)imidazo[4,5-c]quinolin-2-one
CID 134325566
[5-fluoro-6-[7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c]quinolin-1-yl]-3-pyridinyl] hydrogen carbonate
CID 122589385
8-(1,3-dimethylpyrazol-4-yl)-1-(3-fluoro-2-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-methyl-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;7-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)-8-(2H-pyrrol-4-yl)imidazo[4,5-c]quinolin-2-one
CID 161317294
1-[3-fluoro-5-(trideuteriomethoxy)-4-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
CID 122589373
1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-2-one
CID 134325571
N-[6-(1,3-dimethylpyrazol-4-yl)-4-[(3-fluoro-5-methoxy-4-pyridinyl)-methylamino]-7-methoxyquinolin-3-yl]-N-methylformamide
CID 138615272
1-[5-[1-(azetidin-3-yl)ethoxy]-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
CID 134325519

Frequently Asked Questions

What is the IUPAC name of 8-(1,3-dimethylpyrazol-4-yl)-1-(5-fluoro-3-methoxy-2-methyl-2,3-dihydropyridin-4-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-(1,3-dimethylpyrazol-4-yl)-1-(5-fluoro-3-methoxy-2-methyl-2,3-dihydropyridin-4-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one (CID 170013527) is 8-(1,3-dimethylpyrazol-4-yl)-1-(5-fluoro-3-methoxy-2-methyl-2,3-dihydropyridin-4-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-(1,3-dimethylpyrazol-4-yl)-1-(5-fluoro-3-methoxy-2-methyl-2,3-dihydropyridin-4-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-(1,3-dimethylpyrazol-4-yl)-1-(5-fluoro-3-methoxy-2-methyl-2,3-dihydropyridin-4-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one is COc1cc2ncc3c(c2cc1-c1cn(C)nc1C)n(C1=C(F)C=NC(C)C1OC)c(=O)n3C.
What is the InChIKey of 8-(1,3-dimethylpyrazol-4-yl)-1-(5-fluoro-3-methoxy-2-methyl-2,3-dihydropyridin-4-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one?
The InChIKey is HYHRAIZSKBUPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O3/c1-12-16(11-29(3)28-12)14-7-15-18(8-20(14)33-5)27-10-19-21(15)31(24(32)30(19)4)22-17(25)9-26-13(2)23(22)34-6/h7-11,13,23H,1-6H3.
What are the key properties of 8-(1,3-dimethylpyrazol-4-yl)-1-(5-fluoro-3-methoxy-2-methyl-2,3-dihydropyridin-4-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one?
8-(1,3-dimethylpyrazol-4-yl)-1-(5-fluoro-3-methoxy-2-methyl-2,3-dihydropyridin-4-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one has a molecular weight of 464.50 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,3-dimethylpyrazol-4-yl)-1-(5-fluoro-3-methoxy-2-methyl-2,3-dihydropyridin-4-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 170013527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).