2-(3-cyano-1-cyclopentyl-6-cyclopropylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide

C24H25F2N5O2S — CID 66730958

IUPAC2-(3-cyano-1-cyclopentyl-6-cyclopropylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide
SMILESN#Cc1c(-c2ncc(S(=O)(=O)NC(CF)CF)cn2)n(C2CCCC2)c2cc(C3CC3)ccc12
InChIInChI=1S/C24H25F2N5O2S/c25-10-17(11-26)30-34(32,33)19-13-28-24(29-14-19)23-21(12-27)20-8-7-16(15-5-6-15)9-22(20)31(23)18-3-1-2-4-18/h7-9,13-15,17-18,30H,1-6,10-11H2
InChIKeyFTZHDYDYUKELSO-UHFFFAOYSA-N
MW485.56 g/mol
LogP4.55
Rot. Bonds8

About 2-(3-cyano-1-cyclopentyl-6-cyclopropylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide

2-(3-cyano-1-cyclopentyl-6-cyclopropylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide (PubChem CID 66730958) has the molecular formula C24H25F2N5O2S and a molecular weight of 485.56 g/mol. Its IUPAC name is 2-(3-cyano-1-cyclopentyl-6-cyclopropylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-(3-cyano-1-cyclopentyl-6-cyclopropylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide
PubChem CID66730958
Molecular FormulaC24H25F2N5O2S
Molecular Weight485.56 g/mol
Exact Mass485.17
IUPAC Name2-(3-cyano-1-cyclopentyl-6-cyclopropylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide
SMILESN#Cc1c(-c2ncc(S(=O)(=O)NC(CF)CF)cn2)n(C2CCCC2)c2cc(C3CC3)ccc12
InChIInChI=1S/C24H25F2N5O2S/c25-10-17(11-26)30-34(32,33)19-13-28-24(29-14-19)23-21(12-27)20-8-7-16(15-5-6-15)9-22(20)31(23)18-3-1-2-4-18/h7-9,13-15,17-18,30H,1-6,10-11H2
InChIKeyFTZHDYDYUKELSO-UHFFFAOYSA-N
XLogP4.55
TPSA100.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.56
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-1-cyclopentyl-6-cyclopropylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide?
The IUPAC name of 2-(3-cyano-1-cyclopentyl-6-cyclopropylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide (CID 66730958) is 2-(3-cyano-1-cyclopentyl-6-cyclopropylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-(3-cyano-1-cyclopentyl-6-cyclopropylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-(3-cyano-1-cyclopentyl-6-cyclopropylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide is N#Cc1c(-c2ncc(S(=O)(=O)NC(CF)CF)cn2)n(C2CCCC2)c2cc(C3CC3)ccc12.
What is the InChIKey of 2-(3-cyano-1-cyclopentyl-6-cyclopropylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide?
The InChIKey is FTZHDYDYUKELSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N5O2S/c25-10-17(11-26)30-34(32,33)19-13-28-24(29-14-19)23-21(12-27)20-8-7-16(15-5-6-15)9-22(20)31(23)18-3-1-2-4-18/h7-9,13-15,17-18,30H,1-6,10-11H2.
What are the key properties of 2-(3-cyano-1-cyclopentyl-6-cyclopropylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide?
2-(3-cyano-1-cyclopentyl-6-cyclopropylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide has a molecular weight of 485.56 g/mol, XLogP of 4.55, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-1-cyclopentyl-6-cyclopropylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 66730958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).