6-(3-cyano-6-cyclopropyl-5-fluoro-1-pyridin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide

C25H19F4N5O2S — CID 66733065

About 6-(3-cyano-6-cyclopropyl-5-fluoro-1-pyridin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide

6-(3-cyano-6-cyclopropyl-5-fluoro-1-pyridin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (PubChem CID 66733065) has the molecular formula C25H19F4N5O2S and a molecular weight of 529.52 g/mol. Its IUPAC name is 6-(3-cyano-6-cyclopropyl-5-fluoro-1-pyridin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.

Molecular Properties

• Compound Name: 6-(3-cyano-6-cyclopropyl-5-fluoro-1-pyridin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
• PubChem CID: 66733065
• Molecular Formula: C25H19F4N5O2S
• Molecular Weight: 529.52 g/mol
• Exact Mass: 529.12
• IUPAC Name: 6-(3-cyano-6-cyclopropyl-5-fluoro-1-pyridin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
• SMILES: C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(F)c(C4CC4)cc3n2-c2ccccn2)nc1)C(F)(F)F
• InChI: InChI=1S/C25H19F4N5O2S/c1-14(25(27,28)29)33-37(35,36)16-7-8-21(32-13-16)24-19(12-30)18-10-20(26)17(15-5-6-15)11-22(18)34(24)23-4-2-3-9-31-23/h2-4,7-11,13-15,33H,5-6H2,1H3/t14-/m0/s1
• InChIKey: UDVOEPAGIUIZAQ-AWEZNQCLSA-N
• XLogP: 5.20
• TPSA: 100.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	529.52
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-(3-cyano-6-cyclopropyl-5-fluoro-1-pyridin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?

The IUPAC name of 6-(3-cyano-6-cyclopropyl-5-fluoro-1-pyridin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (CID 66733065) is 6-(3-cyano-6-cyclopropyl-5-fluoro-1-pyridin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.

What is the SMILES notation for 6-(3-cyano-6-cyclopropyl-5-fluoro-1-pyridin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?

The canonical SMILES for 6-(3-cyano-6-cyclopropyl-5-fluoro-1-pyridin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(F)c(C4CC4)cc3n2-c2ccccn2)nc1)C(F)(F)F.

What is the InChIKey of 6-(3-cyano-6-cyclopropyl-5-fluoro-1-pyridin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?

The InChIKey is UDVOEPAGIUIZAQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C25H19F4N5O2S/c1-14(25(27,28)29)33-37(35,36)16-7-8-21(32-13-16)24-19(12-30)18-10-20(26)17(15-5-6-15)11-22(18)34(24)23-4-2-3-9-31-23/h2-4,7-11,13-15,33H,5-6H2,1H3/t14-/m0/s1.

What are the key properties of 6-(3-cyano-6-cyclopropyl-5-fluoro-1-pyridin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?

6-(3-cyano-6-cyclopropyl-5-fluoro-1-pyridin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide has a molecular weight of 529.52 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3-cyano-6-cyclopropyl-5-fluoro-1-pyridin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 66733065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).