6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)-N-(1-fluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide

C24H26F2N4O2S — CID 70370397

IUPAC6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)-N-(1-fluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide
SMILESCc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)NC(C)(C)CF)cn1)n2C1CCCC1
InChIInChI=1S/C24H26F2N4O2S/c1-15-10-22-18(11-20(15)26)19(12-27)23(30(22)16-6-4-5-7-16)21-9-8-17(13-28-21)33(31,32)29-24(2,3)14-25/h8-11,13,16,29H,4-7,14H2,1-3H3
InChIKeyHUIMXYPCHCZNTM-UHFFFAOYSA-N
MW472.56 g/mol
LogP5.16
Rot. Bonds6

About 6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)-N-(1-fluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide

6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)-N-(1-fluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide (PubChem CID 70370397) has the molecular formula C24H26F2N4O2S and a molecular weight of 472.56 g/mol. Its IUPAC name is 6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)-N-(1-fluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)-N-(1-fluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide
PubChem CID70370397
Molecular FormulaC24H26F2N4O2S
Molecular Weight472.56 g/mol
Exact Mass472.17
IUPAC Name6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)-N-(1-fluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide
SMILESCc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)NC(C)(C)CF)cn1)n2C1CCCC1
InChIInChI=1S/C24H26F2N4O2S/c1-15-10-22-18(11-20(15)26)19(12-27)23(30(22)16-6-4-5-7-16)21-9-8-17(13-28-21)33(31,32)29-24(2,3)14-25/h8-11,13,16,29H,4-7,14H2,1-3H3
InChIKeyHUIMXYPCHCZNTM-UHFFFAOYSA-N
XLogP5.16
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.56
LogP ≤ 55.16
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-cyclopentyl-5-fluoro-6-methylindol-2-yl)-N-(1-fluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)-N-(1-fluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide (CID 70370397) is 6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)-N-(1-fluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)-N-(1-fluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)-N-(1-fluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide is Cc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)NC(C)(C)CF)cn1)n2C1CCCC1.
What is the InChIKey of 6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)-N-(1-fluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide?
The InChIKey is HUIMXYPCHCZNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N4O2S/c1-15-10-22-18(11-20(15)26)19(12-27)23(30(22)16-6-4-5-7-16)21-9-8-17(13-28-21)33(31,32)29-24(2,3)14-25/h8-11,13,16,29H,4-7,14H2,1-3H3.
What are the key properties of 6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)-N-(1-fluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide?
6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)-N-(1-fluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide has a molecular weight of 472.56 g/mol, XLogP of 5.16, 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-cyclopentyl-5-fluoro-6-methylindol-2-yl)-N-(1-fluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 70370397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).