1-(3,5-difluoro-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one

C21H16F2N6O2 — CID 122589435

IUPAC1-(3,5-difluoro-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3c(c2cc1-c1cnn(C)c1)n(-c1c(F)cncc1F)c(=O)n3C
InChIInChI=1S/C21H16F2N6O2/c1-27-10-11(6-26-27)12-4-13-16(5-18(12)31-3)25-9-17-19(13)29(21(30)28(17)2)20-14(22)7-24-8-15(20)23/h4-10H,1-3H3
InChIKeyDZEKVMMEXXBQMJ-UHFFFAOYSA-N
MW422.40 g/mol
LogP2.96
Rot. Bonds3

About 1-(3,5-difluoro-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one

1-(3,5-difluoro-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one (PubChem CID 122589435) has the molecular formula C21H16F2N6O2 and a molecular weight of 422.40 g/mol. Its IUPAC name is 1-(3,5-difluoro-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-(3,5-difluoro-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
PubChem CID122589435
Molecular FormulaC21H16F2N6O2
Molecular Weight422.40 g/mol
Exact Mass422.13
IUPAC Name1-(3,5-difluoro-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3c(c2cc1-c1cnn(C)c1)n(-c1c(F)cncc1F)c(=O)n3C
InChIInChI=1S/C21H16F2N6O2/c1-27-10-11(6-26-27)12-4-13-16(5-18(12)31-3)25-9-17-19(13)29(21(30)28(17)2)20-14(22)7-24-8-15(20)23/h4-10H,1-3H3
InChIKeyDZEKVMMEXXBQMJ-UHFFFAOYSA-N
XLogP2.96
TPSA79.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.40
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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
[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
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
1-(5-ethenyl-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
CID 145161742
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-(3-fluoro-5-methyl-4-pyridinyl)-7-methoxy-3-methyl-8-(3-methyl-1,2-dihydro-1,3,2-diazaphosphol-5-yl)imidazo[4,5-c]quinolin-2-one
CID 146228359
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
N-(3,5-difluoro-4-pyridinyl)-N-[7-methoxy-3-methyl-6-(1-methylpyrazol-4-yl)quinolin-4-yl]acetamide
CID 145161808
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
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
8-(2,3-dimethyl-3,4-dihydropyrazol-4-yl)-1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one
CID 146221284
8-[2-(difluoromethyl)-3-methyl-3,4-dihydropyrazol-4-yl]-1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one
CID 146221285

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluoro-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-(3,5-difluoro-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one (CID 122589435) is 1-(3,5-difluoro-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 1-(3,5-difluoro-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-(3,5-difluoro-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one is COc1cc2ncc3c(c2cc1-c1cnn(C)c1)n(-c1c(F)cncc1F)c(=O)n3C.
What is the InChIKey of 1-(3,5-difluoro-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The InChIKey is DZEKVMMEXXBQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N6O2/c1-27-10-11(6-26-27)12-4-13-16(5-18(12)31-3)25-9-17-19(13)29(21(30)28(17)2)20-14(22)7-24-8-15(20)23/h4-10H,1-3H3.
What are the key properties of 1-(3,5-difluoro-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
1-(3,5-difluoro-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one has a molecular weight of 422.40 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluoro-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 122589435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).