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

C23H19F3N6O3 — CID 122589430

IUPAC1-[3-(difluoromethoxy)-5-fluoro-4-pyridinyl]-8-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3c(c2cc1-c1cn(C)nc1C)n(-c1c(F)cncc1OC(F)F)c(=O)n3C
InChIInChI=1S/C23H19F3N6O3/c1-11-14(10-30(2)29-11)12-5-13-16(6-18(12)34-4)28-8-17-20(13)32(23(33)31(17)3)21-15(24)7-27-9-19(21)35-22(25)26/h5-10,22H,1-4H3
InChIKeyVURXWRPFWBRPRD-UHFFFAOYSA-N
MW484.44 g/mol
LogP3.73
Rot. Bonds5

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

1-[3-(difluoromethoxy)-5-fluoro-4-pyridinyl]-8-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one (PubChem CID 122589430) has the molecular formula C23H19F3N6O3 and a molecular weight of 484.44 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)-5-fluoro-4-pyridinyl]-8-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)-5-fluoro-4-pyridinyl]-8-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one
PubChem CID122589430
Molecular FormulaC23H19F3N6O3
Molecular Weight484.44 g/mol
Exact Mass484.15
IUPAC Name1-[3-(difluoromethoxy)-5-fluoro-4-pyridinyl]-8-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3c(c2cc1-c1cn(C)nc1C)n(-c1c(F)cncc1OC(F)F)c(=O)n3C
InChIInChI=1S/C23H19F3N6O3/c1-11-14(10-30(2)29-11)12-5-13-16(6-18(12)34-4)28-8-17-20(13)32(23(33)31(17)3)21-15(24)7-27-9-19(21)35-22(25)26/h5-10,22H,1-4H3
InChIKeyVURXWRPFWBRPRD-UHFFFAOYSA-N
XLogP3.73
TPSA88.99 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.44
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)-5-fluoro-4-pyridinyl]-8-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-[3-(difluoromethoxy)-5-fluoro-4-pyridinyl]-8-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one (CID 122589430) is 1-[3-(difluoromethoxy)-5-fluoro-4-pyridinyl]-8-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 1-[3-(difluoromethoxy)-5-fluoro-4-pyridinyl]-8-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-[3-(difluoromethoxy)-5-fluoro-4-pyridinyl]-8-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one is COc1cc2ncc3c(c2cc1-c1cn(C)nc1C)n(-c1c(F)cncc1OC(F)F)c(=O)n3C.
What is the InChIKey of 1-[3-(difluoromethoxy)-5-fluoro-4-pyridinyl]-8-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one?
The InChIKey is VURXWRPFWBRPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N6O3/c1-11-14(10-30(2)29-11)12-5-13-16(6-18(12)34-4)28-8-17-20(13)32(23(33)31(17)3)21-15(24)7-27-9-19(21)35-22(25)26/h5-10,22H,1-4H3.
What are the key properties of 1-[3-(difluoromethoxy)-5-fluoro-4-pyridinyl]-8-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one?
1-[3-(difluoromethoxy)-5-fluoro-4-pyridinyl]-8-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one has a molecular weight of 484.44 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)-5-fluoro-4-pyridinyl]-8-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 122589430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).