6-(3-cyano-1-cyclobutyl-6-cyclopropylindol-2-yl)-N-(3,3-difluorocyclobutyl)pyridine-3-sulfonamide

C25H24F2N4O2S — CID 66733301

IUPAC6-(3-cyano-1-cyclobutyl-6-cyclopropylindol-2-yl)-N-(3,3-difluorocyclobutyl)pyridine-3-sulfonamide
SMILESN#Cc1c(-c2ccc(S(=O)(=O)NC3CC(F)(F)C3)cn2)n(C2CCC2)c2cc(C3CC3)ccc12
InChIInChI=1S/C25H24F2N4O2S/c26-25(27)11-17(12-25)30-34(32,33)19-7-9-22(29-14-19)24-21(13-28)20-8-6-16(15-4-5-15)10-23(20)31(24)18-2-1-3-18/h6-10,14-15,17-18,30H,1-5,11-12H2
InChIKeyFPPQEKKAOGWAGY-UHFFFAOYSA-N
MW482.56 g/mol
LogP5.25
Rot. Bonds6

About 6-(3-cyano-1-cyclobutyl-6-cyclopropylindol-2-yl)-N-(3,3-difluorocyclobutyl)pyridine-3-sulfonamide

6-(3-cyano-1-cyclobutyl-6-cyclopropylindol-2-yl)-N-(3,3-difluorocyclobutyl)pyridine-3-sulfonamide (PubChem CID 66733301) has the molecular formula C25H24F2N4O2S and a molecular weight of 482.56 g/mol. Its IUPAC name is 6-(3-cyano-1-cyclobutyl-6-cyclopropylindol-2-yl)-N-(3,3-difluorocyclobutyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(3-cyano-1-cyclobutyl-6-cyclopropylindol-2-yl)-N-(3,3-difluorocyclobutyl)pyridine-3-sulfonamide
PubChem CID66733301
Molecular FormulaC25H24F2N4O2S
Molecular Weight482.56 g/mol
Exact Mass482.16
IUPAC Name6-(3-cyano-1-cyclobutyl-6-cyclopropylindol-2-yl)-N-(3,3-difluorocyclobutyl)pyridine-3-sulfonamide
SMILESN#Cc1c(-c2ccc(S(=O)(=O)NC3CC(F)(F)C3)cn2)n(C2CCC2)c2cc(C3CC3)ccc12
InChIInChI=1S/C25H24F2N4O2S/c26-25(27)11-17(12-25)30-34(32,33)19-7-9-22(29-14-19)24-21(13-28)20-8-6-16(15-4-5-15)10-23(20)31(24)18-2-1-3-18/h6-10,14-15,17-18,30H,1-5,11-12H2
InChIKeyFPPQEKKAOGWAGY-UHFFFAOYSA-N
XLogP5.25
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.56
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-cyano-1-cyclobutyl-6-cyclopropylindol-2-yl)-N-(3,3-difluorocyclobutyl)pyridine-3-sulfonamide?
The IUPAC name of 6-(3-cyano-1-cyclobutyl-6-cyclopropylindol-2-yl)-N-(3,3-difluorocyclobutyl)pyridine-3-sulfonamide (CID 66733301) is 6-(3-cyano-1-cyclobutyl-6-cyclopropylindol-2-yl)-N-(3,3-difluorocyclobutyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-(3-cyano-1-cyclobutyl-6-cyclopropylindol-2-yl)-N-(3,3-difluorocyclobutyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-(3-cyano-1-cyclobutyl-6-cyclopropylindol-2-yl)-N-(3,3-difluorocyclobutyl)pyridine-3-sulfonamide is N#Cc1c(-c2ccc(S(=O)(=O)NC3CC(F)(F)C3)cn2)n(C2CCC2)c2cc(C3CC3)ccc12.
What is the InChIKey of 6-(3-cyano-1-cyclobutyl-6-cyclopropylindol-2-yl)-N-(3,3-difluorocyclobutyl)pyridine-3-sulfonamide?
The InChIKey is FPPQEKKAOGWAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N4O2S/c26-25(27)11-17(12-25)30-34(32,33)19-7-9-22(29-14-19)24-21(13-28)20-8-6-16(15-4-5-15)10-23(20)31(24)18-2-1-3-18/h6-10,14-15,17-18,30H,1-5,11-12H2.
What are the key properties of 6-(3-cyano-1-cyclobutyl-6-cyclopropylindol-2-yl)-N-(3,3-difluorocyclobutyl)pyridine-3-sulfonamide?
6-(3-cyano-1-cyclobutyl-6-cyclopropylindol-2-yl)-N-(3,3-difluorocyclobutyl)pyridine-3-sulfonamide has a molecular weight of 482.56 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyano-1-cyclobutyl-6-cyclopropylindol-2-yl)-N-(3,3-difluorocyclobutyl)pyridine-3-sulfonamide is sourced from PubChem (CID 66733301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).