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

C24H23FN6O5S — CID 122589423

IUPAC8-(1,3-dimethylpyrazol-4-yl)-1-[3-fluoro-5-(methylsulfonylmethoxy)-2-pyridinyl]-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3c(c2cc1-c1cn(C)nc1C)n(-c1ncc(OCS(C)(=O)=O)cc1F)c(=O)n3C
InChIInChI=1S/C24H23FN6O5S/c1-13-17(11-29(2)28-13)15-7-16-19(8-21(15)35-4)26-10-20-22(16)31(24(32)30(20)3)23-18(25)6-14(9-27-23)36-12-37(5,33)34/h6-11H,12H2,1-5H3
InChIKeyGFKLOJSUKYWIOS-UHFFFAOYSA-N
MW526.55 g/mol
LogP2.51
Rot. Bonds6

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

8-(1,3-dimethylpyrazol-4-yl)-1-[3-fluoro-5-(methylsulfonylmethoxy)-2-pyridinyl]-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one (PubChem CID 122589423) has the molecular formula C24H23FN6O5S and a molecular weight of 526.55 g/mol. Its IUPAC name is 8-(1,3-dimethylpyrazol-4-yl)-1-[3-fluoro-5-(methylsulfonylmethoxy)-2-pyridinyl]-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-(1,3-dimethylpyrazol-4-yl)-1-[3-fluoro-5-(methylsulfonylmethoxy)-2-pyridinyl]-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one
PubChem CID122589423
Molecular FormulaC24H23FN6O5S
Molecular Weight526.55 g/mol
Exact Mass526.14
IUPAC Name8-(1,3-dimethylpyrazol-4-yl)-1-[3-fluoro-5-(methylsulfonylmethoxy)-2-pyridinyl]-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3c(c2cc1-c1cn(C)nc1C)n(-c1ncc(OCS(C)(=O)=O)cc1F)c(=O)n3C
InChIInChI=1S/C24H23FN6O5S/c1-13-17(11-29(2)28-13)15-7-16-19(8-21(15)35-4)26-10-20-22(16)31(24(32)30(20)3)23-18(25)6-14(9-27-23)36-12-37(5,33)34/h6-11H,12H2,1-5H3
InChIKeyGFKLOJSUKYWIOS-UHFFFAOYSA-N
XLogP2.51
TPSA123.13 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.55
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(1,3-dimethylpyrazol-4-yl)-1-[3-fluoro-5-(methylsulfonylmethoxy)-2-pyridinyl]-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-(1,3-dimethylpyrazol-4-yl)-1-[3-fluoro-5-(methylsulfonylmethoxy)-2-pyridinyl]-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one (CID 122589423) is 8-(1,3-dimethylpyrazol-4-yl)-1-[3-fluoro-5-(methylsulfonylmethoxy)-2-pyridinyl]-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-(1,3-dimethylpyrazol-4-yl)-1-[3-fluoro-5-(methylsulfonylmethoxy)-2-pyridinyl]-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-(1,3-dimethylpyrazol-4-yl)-1-[3-fluoro-5-(methylsulfonylmethoxy)-2-pyridinyl]-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one is COc1cc2ncc3c(c2cc1-c1cn(C)nc1C)n(-c1ncc(OCS(C)(=O)=O)cc1F)c(=O)n3C.
What is the InChIKey of 8-(1,3-dimethylpyrazol-4-yl)-1-[3-fluoro-5-(methylsulfonylmethoxy)-2-pyridinyl]-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one?
The InChIKey is GFKLOJSUKYWIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O5S/c1-13-17(11-29(2)28-13)15-7-16-19(8-21(15)35-4)26-10-20-22(16)31(24(32)30(20)3)23-18(25)6-14(9-27-23)36-12-37(5,33)34/h6-11H,12H2,1-5H3.
What are the key properties of 8-(1,3-dimethylpyrazol-4-yl)-1-[3-fluoro-5-(methylsulfonylmethoxy)-2-pyridinyl]-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one?
8-(1,3-dimethylpyrazol-4-yl)-1-[3-fluoro-5-(methylsulfonylmethoxy)-2-pyridinyl]-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one has a molecular weight of 526.55 g/mol, XLogP of 2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,3-dimethylpyrazol-4-yl)-1-[3-fluoro-5-(methylsulfonylmethoxy)-2-pyridinyl]-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 122589423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).