6-(3-cyano-1-cyclobutyl-6-cyclopropylindol-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide

C25H23F3N4O2S — CID 66798227

IUPAC6-(3-cyano-1-cyclobutyl-6-cyclopropylindol-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide
SMILESN#Cc1c(-c2ccc(S(=O)(=O)NC3(C(F)(F)F)CC3)cn2)n(C2CCC2)c2cc(C3CC3)ccc12
InChIInChI=1S/C25H23F3N4O2S/c26-25(27,28)24(10-11-24)31-35(33,34)18-7-9-21(30-14-18)23-20(13-29)19-8-6-16(15-4-5-15)12-22(19)32(23)17-2-1-3-17/h6-9,12,14-15,17,31H,1-5,10-11H2
InChIKeyUTPGPBWMJBFYQE-UHFFFAOYSA-N
MW500.55 g/mol
LogP5.55
Rot. Bonds6

About 6-(3-cyano-1-cyclobutyl-6-cyclopropylindol-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide

6-(3-cyano-1-cyclobutyl-6-cyclopropylindol-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide (PubChem CID 66798227) has the molecular formula C25H23F3N4O2S and a molecular weight of 500.55 g/mol. Its IUPAC name is 6-(3-cyano-1-cyclobutyl-6-cyclopropylindol-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(3-cyano-1-cyclobutyl-6-cyclopropylindol-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide
PubChem CID66798227
Molecular FormulaC25H23F3N4O2S
Molecular Weight500.55 g/mol
Exact Mass500.15
IUPAC Name6-(3-cyano-1-cyclobutyl-6-cyclopropylindol-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide
SMILESN#Cc1c(-c2ccc(S(=O)(=O)NC3(C(F)(F)F)CC3)cn2)n(C2CCC2)c2cc(C3CC3)ccc12
InChIInChI=1S/C25H23F3N4O2S/c26-25(27,28)24(10-11-24)31-35(33,34)18-7-9-21(30-14-18)23-20(13-29)19-8-6-16(15-4-5-15)12-22(19)32(23)17-2-1-3-17/h6-9,12,14-15,17,31H,1-5,10-11H2
InChIKeyUTPGPBWMJBFYQE-UHFFFAOYSA-N
XLogP5.55
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.55
LogP ≤ 55.55
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-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide?
The IUPAC name of 6-(3-cyano-1-cyclobutyl-6-cyclopropylindol-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide (CID 66798227) is 6-(3-cyano-1-cyclobutyl-6-cyclopropylindol-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-(3-cyano-1-cyclobutyl-6-cyclopropylindol-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-(3-cyano-1-cyclobutyl-6-cyclopropylindol-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide is N#Cc1c(-c2ccc(S(=O)(=O)NC3(C(F)(F)F)CC3)cn2)n(C2CCC2)c2cc(C3CC3)ccc12.
What is the InChIKey of 6-(3-cyano-1-cyclobutyl-6-cyclopropylindol-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide?
The InChIKey is UTPGPBWMJBFYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4O2S/c26-25(27,28)24(10-11-24)31-35(33,34)18-7-9-21(30-14-18)23-20(13-29)19-8-6-16(15-4-5-15)12-22(19)32(23)17-2-1-3-17/h6-9,12,14-15,17,31H,1-5,10-11H2.
What are the key properties of 6-(3-cyano-1-cyclobutyl-6-cyclopropylindol-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide?
6-(3-cyano-1-cyclobutyl-6-cyclopropylindol-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide has a molecular weight of 500.55 g/mol, XLogP of 5.55, 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-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide is sourced from PubChem (CID 66798227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).