2-(3-cyano-1-cyclopentyl-6-methylindol-2-yl)-N-[(1S)-1-cyclopropylethyl]pyrimidine-5-sulfonamide

C24H27N5O2S — CID 66798548

IUPAC2-(3-cyano-1-cyclopentyl-6-methylindol-2-yl)-N-[(1S)-1-cyclopropylethyl]pyrimidine-5-sulfonamide
SMILESCc1ccc2c(C#N)c(-c3ncc(S(=O)(=O)N[C@@H](C)C4CC4)cn3)n(C3CCCC3)c2c1
InChIInChI=1S/C24H27N5O2S/c1-15-7-10-20-21(12-25)23(29(22(20)11-15)18-5-3-4-6-18)24-26-13-19(14-27-24)32(30,31)28-16(2)17-8-9-17/h7,10-11,13-14,16-18,28H,3-6,8-9H2,1-2H3/t16-/m0/s1
InChIKeyKCDLOVWNGBIZJC-INIZCTEOSA-N
MW449.58 g/mol
LogP4.47
Rot. Bonds6

About 2-(3-cyano-1-cyclopentyl-6-methylindol-2-yl)-N-[(1S)-1-cyclopropylethyl]pyrimidine-5-sulfonamide

2-(3-cyano-1-cyclopentyl-6-methylindol-2-yl)-N-[(1S)-1-cyclopropylethyl]pyrimidine-5-sulfonamide (PubChem CID 66798548) has the molecular formula C24H27N5O2S and a molecular weight of 449.58 g/mol. Its IUPAC name is 2-(3-cyano-1-cyclopentyl-6-methylindol-2-yl)-N-[(1S)-1-cyclopropylethyl]pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-(3-cyano-1-cyclopentyl-6-methylindol-2-yl)-N-[(1S)-1-cyclopropylethyl]pyrimidine-5-sulfonamide
PubChem CID66798548
Molecular FormulaC24H27N5O2S
Molecular Weight449.58 g/mol
Exact Mass449.19
IUPAC Name2-(3-cyano-1-cyclopentyl-6-methylindol-2-yl)-N-[(1S)-1-cyclopropylethyl]pyrimidine-5-sulfonamide
SMILESCc1ccc2c(C#N)c(-c3ncc(S(=O)(=O)N[C@@H](C)C4CC4)cn3)n(C3CCCC3)c2c1
InChIInChI=1S/C24H27N5O2S/c1-15-7-10-20-21(12-25)23(29(22(20)11-15)18-5-3-4-6-18)24-26-13-19(14-27-24)32(30,31)28-16(2)17-8-9-17/h7,10-11,13-14,16-18,28H,3-6,8-9H2,1-2H3/t16-/m0/s1
InChIKeyKCDLOVWNGBIZJC-INIZCTEOSA-N
XLogP4.47
TPSA100.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.58
LogP ≤ 54.47
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-methylindol-2-yl)-N-[(1S)-1-cyclopropylethyl]pyrimidine-5-sulfonamide?
The IUPAC name of 2-(3-cyano-1-cyclopentyl-6-methylindol-2-yl)-N-[(1S)-1-cyclopropylethyl]pyrimidine-5-sulfonamide (CID 66798548) is 2-(3-cyano-1-cyclopentyl-6-methylindol-2-yl)-N-[(1S)-1-cyclopropylethyl]pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-(3-cyano-1-cyclopentyl-6-methylindol-2-yl)-N-[(1S)-1-cyclopropylethyl]pyrimidine-5-sulfonamide?
The canonical SMILES for 2-(3-cyano-1-cyclopentyl-6-methylindol-2-yl)-N-[(1S)-1-cyclopropylethyl]pyrimidine-5-sulfonamide is Cc1ccc2c(C#N)c(-c3ncc(S(=O)(=O)N[C@@H](C)C4CC4)cn3)n(C3CCCC3)c2c1.
What is the InChIKey of 2-(3-cyano-1-cyclopentyl-6-methylindol-2-yl)-N-[(1S)-1-cyclopropylethyl]pyrimidine-5-sulfonamide?
The InChIKey is KCDLOVWNGBIZJC-INIZCTEOSA-N. The full InChI is InChI=1S/C24H27N5O2S/c1-15-7-10-20-21(12-25)23(29(22(20)11-15)18-5-3-4-6-18)24-26-13-19(14-27-24)32(30,31)28-16(2)17-8-9-17/h7,10-11,13-14,16-18,28H,3-6,8-9H2,1-2H3/t16-/m0/s1.
What are the key properties of 2-(3-cyano-1-cyclopentyl-6-methylindol-2-yl)-N-[(1S)-1-cyclopropylethyl]pyrimidine-5-sulfonamide?
2-(3-cyano-1-cyclopentyl-6-methylindol-2-yl)-N-[(1S)-1-cyclopropylethyl]pyrimidine-5-sulfonamide has a molecular weight of 449.58 g/mol, XLogP of 4.47, 6 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-methylindol-2-yl)-N-[(1S)-1-cyclopropylethyl]pyrimidine-5-sulfonamide is sourced from PubChem (CID 66798548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).