2-[1-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-2-oxoimidazo[4,5-c]pyridin-3-yl]acetic acid

C20H21FN4O5S — CID 67333338

IUPAC2-[1-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-2-oxoimidazo[4,5-c]pyridin-3-yl]acetic acid
SMILESCc1cc(F)ccc1S(=O)(=O)N1CCC(n2c(=O)n(CC(=O)O)c3cnccc32)CC1
InChIInChI=1S/C20H21FN4O5S/c1-13-10-14(21)2-3-18(13)31(29,30)23-8-5-15(6-9-23)25-16-4-7-22-11-17(16)24(20(25)28)12-19(26)27/h2-4,7,10-11,15H,5-6,8-9,12H2,1H3,(H,26,27)
InChIKeyCCXQNRDKVGMPMO-UHFFFAOYSA-N
MW448.48 g/mol
LogP1.76
Rot. Bonds5

About 2-[1-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-2-oxoimidazo[4,5-c]pyridin-3-yl]acetic acid

2-[1-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-2-oxoimidazo[4,5-c]pyridin-3-yl]acetic acid (PubChem CID 67333338) has the molecular formula C20H21FN4O5S and a molecular weight of 448.48 g/mol. Its IUPAC name is 2-[1-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-2-oxoimidazo[4,5-c]pyridin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-2-oxoimidazo[4,5-c]pyridin-3-yl]acetic acid
PubChem CID67333338
Molecular FormulaC20H21FN4O5S
Molecular Weight448.48 g/mol
Exact Mass448.12
IUPAC Name2-[1-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-2-oxoimidazo[4,5-c]pyridin-3-yl]acetic acid
SMILESCc1cc(F)ccc1S(=O)(=O)N1CCC(n2c(=O)n(CC(=O)O)c3cnccc32)CC1
InChIInChI=1S/C20H21FN4O5S/c1-13-10-14(21)2-3-18(13)31(29,30)23-8-5-15(6-9-23)25-16-4-7-22-11-17(16)24(20(25)28)12-19(26)27/h2-4,7,10-11,15H,5-6,8-9,12H2,1H3,(H,26,27)
InChIKeyCCXQNRDKVGMPMO-UHFFFAOYSA-N
XLogP1.76
TPSA114.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[1-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-2-oxoimidazo[4,5-c]pyridin-3-yl]acetic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-[5-fluoro-3-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-2-methylindol-1-yl]acetic acid
CID 130433697
2-[3-[1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidin-4-yl]-2-oxoimidazo[4,5-b]pyridin-1-yl]acetic acid
CID 58380668
2-[3-[1-(2-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]-2-oxoimidazo[4,5-b]pyridin-1-yl]acetic acid
CID 67334638
2-[6-fluoro-2-oxo-3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridin-1-yl]acetic acid
CID 58380675
N-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]propanamide
CID 110823232
1-(4-fluoro-2-methylphenyl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine
CID 110709179
2-[3-[1-(2-fluoro-4-methylphenyl)sulfonylpiperidin-3-yl]-2-oxoimidazo[4,5-b]pyridin-1-yl]acetic acid
CID 67335423
1-(4-fluoro-2-methylphenyl)sulfonyl-3-phenylpyrrolidine
CID 51055229
2-[2-oxo-3-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridin-1-yl]acetic acid
CID 45376643
4-[[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]methyl]morpholine
CID 110284731
1-(4-fluoro-2-methylphenyl)sulfonyl-4,4-dimethylpiperidine
CID 110738659
1,4-bis[(4-fluoro-2-methylphenyl)sulfonyl]-1,4-diazepane
CID 52559280

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-2-oxoimidazo[4,5-c]pyridin-3-yl]acetic acid?
The IUPAC name of 2-[1-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-2-oxoimidazo[4,5-c]pyridin-3-yl]acetic acid (CID 67333338) is 2-[1-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-2-oxoimidazo[4,5-c]pyridin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-2-oxoimidazo[4,5-c]pyridin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-2-oxoimidazo[4,5-c]pyridin-3-yl]acetic acid is Cc1cc(F)ccc1S(=O)(=O)N1CCC(n2c(=O)n(CC(=O)O)c3cnccc32)CC1.
What is the InChIKey of 2-[1-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-2-oxoimidazo[4,5-c]pyridin-3-yl]acetic acid?
The InChIKey is CCXQNRDKVGMPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O5S/c1-13-10-14(21)2-3-18(13)31(29,30)23-8-5-15(6-9-23)25-16-4-7-22-11-17(16)24(20(25)28)12-19(26)27/h2-4,7,10-11,15H,5-6,8-9,12H2,1H3,(H,26,27).
What are the key properties of 2-[1-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-2-oxoimidazo[4,5-c]pyridin-3-yl]acetic acid?
2-[1-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-2-oxoimidazo[4,5-c]pyridin-3-yl]acetic acid has a molecular weight of 448.48 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-2-oxoimidazo[4,5-c]pyridin-3-yl]acetic acid is sourced from PubChem (CID 67333338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).