1-cyclopropyl-N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-2-fluorophenyl]methanesulfonamide

C23H23FN2O3S — CID 157063511

IUPAC1-cyclopropyl-N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-2-fluorophenyl]methanesulfonamide
SMILESO=C(Cc1cc(-c2ccc(NS(=O)(=O)CC3CC3)c(F)c2)c2c(n1)CC=C2)C1CC1
InChIInChI=1S/C23H23FN2O3S/c24-20-10-16(8-9-22(20)26-30(28,29)13-14-4-5-14)19-11-17(12-23(27)15-6-7-15)25-21-3-1-2-18(19)21/h1-2,8-11,14-15,26H,3-7,12-13H2
InChIKeyABPHIXNPEAHSEF-UHFFFAOYSA-N
MW426.51 g/mol
LogP4.13
Rot. Bonds8

About 1-cyclopropyl-N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-2-fluorophenyl]methanesulfonamide

1-cyclopropyl-N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-2-fluorophenyl]methanesulfonamide (PubChem CID 157063511) has the molecular formula C23H23FN2O3S and a molecular weight of 426.51 g/mol. Its IUPAC name is 1-cyclopropyl-N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-2-fluorophenyl]methanesulfonamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-2-fluorophenyl]methanesulfonamide
PubChem CID157063511
Molecular FormulaC23H23FN2O3S
Molecular Weight426.51 g/mol
Exact Mass426.14
IUPAC Name1-cyclopropyl-N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-2-fluorophenyl]methanesulfonamide
SMILESO=C(Cc1cc(-c2ccc(NS(=O)(=O)CC3CC3)c(F)c2)c2c(n1)CC=C2)C1CC1
InChIInChI=1S/C23H23FN2O3S/c24-20-10-16(8-9-22(20)26-30(28,29)13-14-4-5-14)19-11-17(12-23(27)15-6-7-15)25-21-3-1-2-18(19)21/h1-2,8-11,14-15,26H,3-7,12-13H2
InChIKeyABPHIXNPEAHSEF-UHFFFAOYSA-N
XLogP4.13
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-cyclopropyl-N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-2-fluorophenyl]methanesulfonamide with MolForge

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Related Compounds

2-[4-(ethylsulfonylamino)-3-fluorophenyl]-N-[[2-hexyl-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
CID 89441692
N-[2-fluoro-4-[5-[6-methyl-2-(2-phenylethynyl)-3-pyridinyl]-3-oxopentan-2-yl]phenyl]methanesulfonamide
CID 147316544
N-[4-[5-[2-(3,3-dimethylbutyl)-6-methyl-3-pyridinyl]-3-oxopentan-2-yl]-2-fluorophenyl]methanesulfonamide
CID 147623490
N-[2-fluoro-4-[5-[2-(3-fluorophenyl)-6-methyl-3-pyridinyl]-3-oxopentan-2-yl]phenyl]methanesulfonamide
CID 148288260
N-[2-fluoro-4-[5-[6-methyl-2-[(Z)-pent-1-enyl]-3-pyridinyl]-3-oxopentan-2-yl]phenyl]methanesulfonamide
CID 153121242
1-[1-(cyanomethyl)cyclopropyl]-N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-2,6-difluorophenyl]methanesulfonamide
CID 157114649
N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-3-(trifluoromethyl)phenyl]propane-1-sulfonamide
CID 157150076
N-[2-fluoro-4-[5-(2-hexyl-6-methyl-3-pyridinyl)-3-oxopentan-2-yl]phenyl]methanesulfonamide
CID 157305447
N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-3-(trifluoromethyl)phenyl]cyclobutanesulfonamide
CID 157399932
N-[3-cyano-4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]phenyl]-3,4-difluorobenzenesulfonamide
CID 157406873
1-(1-cyanocyclopropyl)-N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-2-fluorophenyl]methanesulfonamide
CID 157417241
N-[2-fluoro-4-[5-[6-methyl-2-(4-methylpentyl)-3-pyridinyl]-3-oxopentan-2-yl]phenyl]methanesulfonamide
CID 157719509

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-2-fluorophenyl]methanesulfonamide?
The IUPAC name of 1-cyclopropyl-N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-2-fluorophenyl]methanesulfonamide (CID 157063511) is 1-cyclopropyl-N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-2-fluorophenyl]methanesulfonamide.
What is the SMILES notation for 1-cyclopropyl-N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-2-fluorophenyl]methanesulfonamide?
The canonical SMILES for 1-cyclopropyl-N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-2-fluorophenyl]methanesulfonamide is O=C(Cc1cc(-c2ccc(NS(=O)(=O)CC3CC3)c(F)c2)c2c(n1)CC=C2)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-2-fluorophenyl]methanesulfonamide?
The InChIKey is ABPHIXNPEAHSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O3S/c24-20-10-16(8-9-22(20)26-30(28,29)13-14-4-5-14)19-11-17(12-23(27)15-6-7-15)25-21-3-1-2-18(19)21/h1-2,8-11,14-15,26H,3-7,12-13H2.
What are the key properties of 1-cyclopropyl-N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-2-fluorophenyl]methanesulfonamide?
1-cyclopropyl-N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-2-fluorophenyl]methanesulfonamide has a molecular weight of 426.51 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-2-fluorophenyl]methanesulfonamide is sourced from PubChem (CID 157063511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).