8-[5-(1,3-difluoropropan-2-yloxy)-6-methyl-3-pyridinyl]-1-(1,3-dimethylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one

C25H24F2N6O2 — CID 59619805

IUPAC8-[5-(1,3-difluoropropan-2-yloxy)-6-methyl-3-pyridinyl]-1-(1,3-dimethylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCc1ncc(-c2ccc3ncc4c(c3c2)n(-c2cn(C)nc2C)c(=O)n4C)cc1OC(CF)CF
InChIInChI=1S/C25H24F2N6O2/c1-14-22(13-31(3)30-14)33-24-19-7-16(5-6-20(19)29-12-21(24)32(4)25(33)34)17-8-23(15(2)28-11-17)35-18(9-26)10-27/h5-8,11-13,18H,9-10H2,1-4H3
InChIKeyHPBXXSVZXVDKOR-UHFFFAOYSA-N
MW478.50 g/mol
LogP3.98
Rot. Bonds6

About 8-[5-(1,3-difluoropropan-2-yloxy)-6-methyl-3-pyridinyl]-1-(1,3-dimethylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one

8-[5-(1,3-difluoropropan-2-yloxy)-6-methyl-3-pyridinyl]-1-(1,3-dimethylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one (PubChem CID 59619805) has the molecular formula C25H24F2N6O2 and a molecular weight of 478.50 g/mol. Its IUPAC name is 8-[5-(1,3-difluoropropan-2-yloxy)-6-methyl-3-pyridinyl]-1-(1,3-dimethylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-[5-(1,3-difluoropropan-2-yloxy)-6-methyl-3-pyridinyl]-1-(1,3-dimethylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one
PubChem CID59619805
Molecular FormulaC25H24F2N6O2
Molecular Weight478.50 g/mol
Exact Mass478.19
IUPAC Name8-[5-(1,3-difluoropropan-2-yloxy)-6-methyl-3-pyridinyl]-1-(1,3-dimethylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCc1ncc(-c2ccc3ncc4c(c3c2)n(-c2cn(C)nc2C)c(=O)n4C)cc1OC(CF)CF
InChIInChI=1S/C25H24F2N6O2/c1-14-22(13-31(3)30-14)33-24-19-7-16(5-6-20(19)29-12-21(24)32(4)25(33)34)17-8-23(15(2)28-11-17)35-18(9-26)10-27/h5-8,11-13,18H,9-10H2,1-4H3
InChIKeyHPBXXSVZXVDKOR-UHFFFAOYSA-N
XLogP3.98
TPSA79.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.50
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 8-[5-(1,3-difluoropropan-2-yloxy)-6-methyl-3-pyridinyl]-1-(1,3-dimethylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[5-(1,3-difluoropropan-2-yloxy)-6-methyl-3-pyridinyl]-1-(1,3-dimethylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-[5-(1,3-difluoropropan-2-yloxy)-6-methyl-3-pyridinyl]-1-(1,3-dimethylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one (CID 59619805) is 8-[5-(1,3-difluoropropan-2-yloxy)-6-methyl-3-pyridinyl]-1-(1,3-dimethylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-[5-(1,3-difluoropropan-2-yloxy)-6-methyl-3-pyridinyl]-1-(1,3-dimethylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-[5-(1,3-difluoropropan-2-yloxy)-6-methyl-3-pyridinyl]-1-(1,3-dimethylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one is Cc1ncc(-c2ccc3ncc4c(c3c2)n(-c2cn(C)nc2C)c(=O)n4C)cc1OC(CF)CF.
What is the InChIKey of 8-[5-(1,3-difluoropropan-2-yloxy)-6-methyl-3-pyridinyl]-1-(1,3-dimethylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one?
The InChIKey is HPBXXSVZXVDKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N6O2/c1-14-22(13-31(3)30-14)33-24-19-7-16(5-6-20(19)29-12-21(24)32(4)25(33)34)17-8-23(15(2)28-11-17)35-18(9-26)10-27/h5-8,11-13,18H,9-10H2,1-4H3.
What are the key properties of 8-[5-(1,3-difluoropropan-2-yloxy)-6-methyl-3-pyridinyl]-1-(1,3-dimethylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one?
8-[5-(1,3-difluoropropan-2-yloxy)-6-methyl-3-pyridinyl]-1-(1,3-dimethylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one has a molecular weight of 478.50 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-(1,3-difluoropropan-2-yloxy)-6-methyl-3-pyridinyl]-1-(1,3-dimethylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 59619805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).