5-[1-(1,3-dimethylpyrazol-4-yl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-methoxypyridine-3-carbonitrile

C23H19N7O2 — CID 59619935

IUPAC5-[1-(1,3-dimethylpyrazol-4-yl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-methoxypyridine-3-carbonitrile
SMILESCOc1ncc(-c2ccc3ncc4c(c3c2)n(-c2cn(C)nc2C)c(=O)n4C)cc1C#N
InChIInChI=1S/C23H19N7O2/c1-13-20(12-28(2)27-13)30-21-17-8-14(16-7-15(9-24)22(32-4)26-10-16)5-6-18(17)25-11-19(21)29(3)23(30)31/h5-8,10-12H,1-4H3
InChIKeyOVPFKQNXJFYGIB-UHFFFAOYSA-N
MW425.45 g/mol
LogP2.86
Rot. Bonds3

About 5-[1-(1,3-dimethylpyrazol-4-yl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-methoxypyridine-3-carbonitrile

5-[1-(1,3-dimethylpyrazol-4-yl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-methoxypyridine-3-carbonitrile (PubChem CID 59619935) has the molecular formula C23H19N7O2 and a molecular weight of 425.45 g/mol. Its IUPAC name is 5-[1-(1,3-dimethylpyrazol-4-yl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-methoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[1-(1,3-dimethylpyrazol-4-yl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-methoxypyridine-3-carbonitrile
PubChem CID59619935
Molecular FormulaC23H19N7O2
Molecular Weight425.45 g/mol
Exact Mass425.16
IUPAC Name5-[1-(1,3-dimethylpyrazol-4-yl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-methoxypyridine-3-carbonitrile
SMILESCOc1ncc(-c2ccc3ncc4c(c3c2)n(-c2cn(C)nc2C)c(=O)n4C)cc1C#N
InChIInChI=1S/C23H19N7O2/c1-13-20(12-28(2)27-13)30-21-17-8-14(16-7-15(9-24)22(32-4)26-10-16)5-6-18(17)25-11-19(21)29(3)23(30)31/h5-8,10-12H,1-4H3
InChIKeyOVPFKQNXJFYGIB-UHFFFAOYSA-N
XLogP2.86
TPSA103.55 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

1-(1,3-dimethylpyrazol-4-yl)-3-methyl-8-[6-methyl-5-(methylamino)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one
CID 59619638
1-(1,3-dimethylpyrazol-4-yl)-3-methyl-8-(6-methyl-5-propan-2-yloxy-3-pyridinyl)imidazo[4,5-c]quinolin-2-one
CID 59620037
1-(1,3-dimethylpyrazol-4-yl)-8-[6-(ethoxymethyl)-5-methoxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
CID 59619881
1-(1,3-dimethylpyrazol-4-yl)-8-[6-(hydroxymethyl)-5-propan-2-yloxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
CID 59619932
8-[5-(aminomethyl)-3-pyridinyl]-1-(1,3-dimethylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 59620031
1-(1,3-dimethylpyrazol-4-yl)-8-[6-(2-hydroxyethylamino)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
CID 59619625
1-(3-chloro-1-methylpyrazol-4-yl)-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 59619918
1-(1-ethyl-3-methylpyrazol-4-yl)-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 59619745
1-(1,3-dimethylpyrazol-4-yl)-8-[3-hydroxy-5-(trifluoromethyl)phenyl]-3-methylimidazo[4,5-c]quinolin-2-one
CID 59619818
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
3-[8-(4-chloro-3-methoxyphenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile
CID 134438375
1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(1-methyltriazol-4-yl)imidazo[4,5-c]quinolin-2-one
CID 134325522

Frequently Asked Questions

What is the IUPAC name of 5-[1-(1,3-dimethylpyrazol-4-yl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-methoxypyridine-3-carbonitrile?
The IUPAC name of 5-[1-(1,3-dimethylpyrazol-4-yl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-methoxypyridine-3-carbonitrile (CID 59619935) is 5-[1-(1,3-dimethylpyrazol-4-yl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-methoxypyridine-3-carbonitrile.
What is the SMILES notation for 5-[1-(1,3-dimethylpyrazol-4-yl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-methoxypyridine-3-carbonitrile?
The canonical SMILES for 5-[1-(1,3-dimethylpyrazol-4-yl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-methoxypyridine-3-carbonitrile is COc1ncc(-c2ccc3ncc4c(c3c2)n(-c2cn(C)nc2C)c(=O)n4C)cc1C#N.
What is the InChIKey of 5-[1-(1,3-dimethylpyrazol-4-yl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-methoxypyridine-3-carbonitrile?
The InChIKey is OVPFKQNXJFYGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7O2/c1-13-20(12-28(2)27-13)30-21-17-8-14(16-7-15(9-24)22(32-4)26-10-16)5-6-18(17)25-11-19(21)29(3)23(30)31/h5-8,10-12H,1-4H3.
What are the key properties of 5-[1-(1,3-dimethylpyrazol-4-yl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-methoxypyridine-3-carbonitrile?
5-[1-(1,3-dimethylpyrazol-4-yl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-methoxypyridine-3-carbonitrile has a molecular weight of 425.45 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1,3-dimethylpyrazol-4-yl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-methoxypyridine-3-carbonitrile is sourced from PubChem (CID 59619935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).