7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-(1H-pyrrolo[3,2-c]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one

C23H19N7O2 — CID 134325526

IUPAC7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-(1H-pyrrolo[3,2-c]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3c(c2cc1-c1cnn(C)c1)n(-c1cc2[nH]ccc2cn1)c(=O)n3C
InChIInChI=1S/C23H19N7O2/c1-28-12-14(10-27-28)15-6-16-18(7-20(15)32-3)25-11-19-22(16)30(23(31)29(19)2)21-8-17-13(9-26-21)4-5-24-17/h4-12,24H,1-3H3
InChIKeyZJVJNXDLDBYHED-UHFFFAOYSA-N
MW425.45 g/mol
LogP3.16
Rot. Bonds3

About 7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-(1H-pyrrolo[3,2-c]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one

7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-(1H-pyrrolo[3,2-c]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one (PubChem CID 134325526) has the molecular formula C23H19N7O2 and a molecular weight of 425.45 g/mol. Its IUPAC name is 7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-(1H-pyrrolo[3,2-c]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-(1H-pyrrolo[3,2-c]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one
PubChem CID134325526
Molecular FormulaC23H19N7O2
Molecular Weight425.45 g/mol
Exact Mass425.16
IUPAC Name7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-(1H-pyrrolo[3,2-c]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3c(c2cc1-c1cnn(C)c1)n(-c1cc2[nH]ccc2cn1)c(=O)n3C
InChIInChI=1S/C23H19N7O2/c1-28-12-14(10-27-28)15-6-16-18(7-20(15)32-3)25-11-19-22(16)30(23(31)29(19)2)21-8-17-13(9-26-21)4-5-24-17/h4-12,24H,1-3H3
InChIKeyZJVJNXDLDBYHED-UHFFFAOYSA-N
XLogP3.16
TPSA95.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

DNA-PK-IN-11
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M-4076
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N-[5-[6-(difluoromethoxy)-1H-indazol-5-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135200197
(1S,3S)-N-(7-Methoxy-4-methylquinolin-2-yl)-N'-[(1-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)methyl]cyclopentane-1,3-diamine
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4-N-(1H-indazol-5-yl)-2-N-[2-(1H-indol-3-yl)ethyl]-7-methoxyquinazoline-2,4-diamine
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(2S)-6-ethyl-N-[(1S)-1-[5-(6-methoxy-2-methylindazol-5-yl)-1H-imidazol-2-yl]-7-oxononyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 168299120
1-[4-[4-[[9-(4-Methoxyphenyl)-8-methyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanone
CID 56602846
3-Fluoro-4-[7-methoxy-3-methyl-8-(2-methylpyrazol-3-yl)-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile
CID 56847640
3-Fluoro-4-[7-methoxy-3-methyl-8-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile
CID 56847642
1-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-[3-(2-methylindazol-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 92044906
US10457677, Example 114
CID 122589327

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-(1H-pyrrolo[3,2-c]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-(1H-pyrrolo[3,2-c]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one (CID 134325526) is 7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-(1H-pyrrolo[3,2-c]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-(1H-pyrrolo[3,2-c]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-(1H-pyrrolo[3,2-c]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one is COc1cc2ncc3c(c2cc1-c1cnn(C)c1)n(-c1cc2[nH]ccc2cn1)c(=O)n3C.
What is the InChIKey of 7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-(1H-pyrrolo[3,2-c]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one?
The InChIKey is ZJVJNXDLDBYHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7O2/c1-28-12-14(10-27-28)15-6-16-18(7-20(15)32-3)25-11-19-22(16)30(23(31)29(19)2)21-8-17-13(9-26-21)4-5-24-17/h4-12,24H,1-3H3.
What are the key properties of 7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-(1H-pyrrolo[3,2-c]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one?
7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-(1H-pyrrolo[3,2-c]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one has a molecular weight of 425.45 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-(1H-pyrrolo[3,2-c]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 134325526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).