3-(4-chlorophenyl)-5-[[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]methyl]-7H-cyclopenta[b]pyridine

C25H22ClF2NO2S — CID 157180369

IUPAC3-(4-chlorophenyl)-5-[[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]methyl]-7H-cyclopenta[b]pyridine
SMILESCCCS(=O)(=O)Cc1ccc(F)c(CC2=CCc3ncc(-c4ccc(Cl)cc4)cc32)c1F
InChIInChI=1S/C25H22ClF2NO2S/c1-2-11-32(30,31)15-18-5-9-23(27)22(25(18)28)12-17-6-10-24-21(17)13-19(14-29-24)16-3-7-20(26)8-4-16/h3-9,13-14H,2,10-12,15H2,1H3
InChIKeyLFUPDICYJQXORM-UHFFFAOYSA-N
MW473.97 g/mol
LogP6.19
Rot. Bonds7

About 3-(4-chlorophenyl)-5-[[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]methyl]-7H-cyclopenta[b]pyridine

3-(4-chlorophenyl)-5-[[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]methyl]-7H-cyclopenta[b]pyridine (PubChem CID 157180369) has the molecular formula C25H22ClF2NO2S and a molecular weight of 473.97 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-[[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]methyl]-7H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-[[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]methyl]-7H-cyclopenta[b]pyridine
PubChem CID157180369
Molecular FormulaC25H22ClF2NO2S
Molecular Weight473.97 g/mol
Exact Mass473.10
IUPAC Name3-(4-chlorophenyl)-5-[[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]methyl]-7H-cyclopenta[b]pyridine
SMILESCCCS(=O)(=O)Cc1ccc(F)c(CC2=CCc3ncc(-c4ccc(Cl)cc4)cc32)c1F
InChIInChI=1S/C25H22ClF2NO2S/c1-2-11-32(30,31)15-18-5-9-23(27)22(25(18)28)12-17-6-10-24-21(17)13-19(14-29-24)16-3-7-20(26)8-4-16/h3-9,13-14H,2,10-12,15H2,1H3
InChIKeyLFUPDICYJQXORM-UHFFFAOYSA-N
XLogP6.19
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.97
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(4-chlorophenyl)-5-[[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]methyl]-7H-cyclopenta[b]pyridine 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

(E)-2-(2-chloro-4-fluorostyryl)-5-(2-fluorophenylsulfonyl)pyridine
CID 44439379
(8R)-8-[5-(5-chloro-3-pyridinyl)-2-fluorophenyl]-8-methyl-6,6-dioxo-6lambda6-thia-9-azaspiro[4.5]dec-9-en-10-amine
CID 71532118
US11021493, Example 100
CID 135125624
US11021493, Example 268
CID 135125830
US11021493, Example 232
CID 135125836
US11021493, Example 114
CID 135125878
US11021493, Example 151
CID 135126175
US11021493, Example 264
CID 135126294
US11021493, Example 242
CID 135126398
N-(amino(((5,6-bis(4-chlorophenyl)pyridin-3-yl)methyl)amino)methylene)cyclopentanesulfonamide
CID 134227711
2-[(4-Chlorophenyl)methyl]-5-methylsulfonyl-pyridine
CID 511949
2-[(2-Chlorophenyl)methylsulfonylmethyl]pyridine
CID 94828199

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-[[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]methyl]-7H-cyclopenta[b]pyridine?
The IUPAC name of 3-(4-chlorophenyl)-5-[[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]methyl]-7H-cyclopenta[b]pyridine (CID 157180369) is 3-(4-chlorophenyl)-5-[[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]methyl]-7H-cyclopenta[b]pyridine.
What is the SMILES notation for 3-(4-chlorophenyl)-5-[[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]methyl]-7H-cyclopenta[b]pyridine?
The canonical SMILES for 3-(4-chlorophenyl)-5-[[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]methyl]-7H-cyclopenta[b]pyridine is CCCS(=O)(=O)Cc1ccc(F)c(CC2=CCc3ncc(-c4ccc(Cl)cc4)cc32)c1F.
What is the InChIKey of 3-(4-chlorophenyl)-5-[[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]methyl]-7H-cyclopenta[b]pyridine?
The InChIKey is LFUPDICYJQXORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClF2NO2S/c1-2-11-32(30,31)15-18-5-9-23(27)22(25(18)28)12-17-6-10-24-21(17)13-19(14-29-24)16-3-7-20(26)8-4-16/h3-9,13-14H,2,10-12,15H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-5-[[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]methyl]-7H-cyclopenta[b]pyridine?
3-(4-chlorophenyl)-5-[[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]methyl]-7H-cyclopenta[b]pyridine has a molecular weight of 473.97 g/mol, XLogP of 6.19, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-[[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]methyl]-7H-cyclopenta[b]pyridine is sourced from PubChem (CID 157180369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).