N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-3-(trifluoromethyl)phenyl]cyclobutanesulfonamide

C24H23F3N2O3S — CID 157399932

IUPACN-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-3-(trifluoromethyl)phenyl]cyclobutanesulfonamide
SMILESO=C(Cc1cc(-c2ccc(NS(=O)(=O)C3CCC3)cc2C(F)(F)F)c2c(n1)CC=C2)C1CC1
InChIInChI=1S/C24H23F3N2O3S/c25-24(26,27)21-12-15(29-33(31,32)17-3-1-4-17)9-10-18(21)20-11-16(13-23(30)14-7-8-14)28-22-6-2-5-19(20)22/h2,5,9-12,14,17,29H,1,3-4,6-8,13H2
InChIKeyBNAJYDPOXSAYOK-UHFFFAOYSA-N
MW476.52 g/mol
LogP5.15
Rot. Bonds7

About N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-3-(trifluoromethyl)phenyl]cyclobutanesulfonamide

N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-3-(trifluoromethyl)phenyl]cyclobutanesulfonamide (PubChem CID 157399932) has the molecular formula C24H23F3N2O3S and a molecular weight of 476.52 g/mol. Its IUPAC name is N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-3-(trifluoromethyl)phenyl]cyclobutanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-3-(trifluoromethyl)phenyl]cyclobutanesulfonamide
PubChem CID157399932
Molecular FormulaC24H23F3N2O3S
Molecular Weight476.52 g/mol
Exact Mass476.14
IUPAC NameN-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-3-(trifluoromethyl)phenyl]cyclobutanesulfonamide
SMILESO=C(Cc1cc(-c2ccc(NS(=O)(=O)C3CCC3)cc2C(F)(F)F)c2c(n1)CC=C2)C1CC1
InChIInChI=1S/C24H23F3N2O3S/c25-24(26,27)21-12-15(29-33(31,32)17-3-1-4-17)9-10-18(21)20-11-16(13-23(30)14-7-8-14)28-22-6-2-5-19(20)22/h2,5,9-12,14,17,29H,1,3-4,6-8,13H2
InChIKeyBNAJYDPOXSAYOK-UHFFFAOYSA-N
XLogP5.15
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.52
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-3-(trifluoromethyl)phenyl]cyclobutanesulfonamide?
The IUPAC name of N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-3-(trifluoromethyl)phenyl]cyclobutanesulfonamide (CID 157399932) is N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-3-(trifluoromethyl)phenyl]cyclobutanesulfonamide.
What is the SMILES notation for N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-3-(trifluoromethyl)phenyl]cyclobutanesulfonamide?
The canonical SMILES for N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-3-(trifluoromethyl)phenyl]cyclobutanesulfonamide is O=C(Cc1cc(-c2ccc(NS(=O)(=O)C3CCC3)cc2C(F)(F)F)c2c(n1)CC=C2)C1CC1.
What is the InChIKey of N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-3-(trifluoromethyl)phenyl]cyclobutanesulfonamide?
The InChIKey is BNAJYDPOXSAYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N2O3S/c25-24(26,27)21-12-15(29-33(31,32)17-3-1-4-17)9-10-18(21)20-11-16(13-23(30)14-7-8-14)28-22-6-2-5-19(20)22/h2,5,9-12,14,17,29H,1,3-4,6-8,13H2.
What are the key properties of N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-3-(trifluoromethyl)phenyl]cyclobutanesulfonamide?
N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-3-(trifluoromethyl)phenyl]cyclobutanesulfonamide has a molecular weight of 476.52 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-3-(trifluoromethyl)phenyl]cyclobutanesulfonamide is sourced from PubChem (CID 157399932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).