N-[1-[6-(3-cyano-5-fluoro-2-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]ethyl]cyclopropanesulfonamide

C24H26F2N4O2S — CID 168956638

About N-[1-[6-(3-cyano-5-fluoro-2-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]ethyl]cyclopropanesulfonamide

N-[1-[6-(3-cyano-5-fluoro-2-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]ethyl]cyclopropanesulfonamide (PubChem CID 168956638) has the molecular formula C24H26F2N4O2S and a molecular weight of 472.56 g/mol. Its IUPAC name is N-[1-[6-(3-cyano-5-fluoro-2-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]ethyl]cyclopropanesulfonamide.

Molecular Properties

• Compound Name: N-[1-[6-(3-cyano-5-fluoro-2-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]ethyl]cyclopropanesulfonamide
• PubChem CID: 168956638
• Molecular Formula: C24H26F2N4O2S
• Molecular Weight: 472.56 g/mol
• Exact Mass: 472.17
• IUPAC Name: N-[1-[6-(3-cyano-5-fluoro-2-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]ethyl]cyclopropanesulfonamide
• SMILES: CC(NS(=O)(=O)C1CC1)c1cn(CC(C)(C)C)c2cc(-c3ncc(F)cc3C#N)c(F)cc12
• InChI: InChI=1S/C24H26F2N4O2S/c1-14(29-33(31,32)17-5-6-17)20-12-30(13-24(2,3)4)22-9-19(21(26)8-18(20)22)23-15(10-27)7-16(25)11-28-23/h7-9,11-12,14,17,29H,5-6,13H2,1-4H3
• InChIKey: PKMVTYZFLXCNSF-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 87.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.56
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(3-cyano-5-fluoro-2-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]ethyl]cyclopropanesulfonamide?

The IUPAC name of N-[1-[6-(3-cyano-5-fluoro-2-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]ethyl]cyclopropanesulfonamide (CID 168956638) is N-[1-[6-(3-cyano-5-fluoro-2-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]ethyl]cyclopropanesulfonamide.

What is the SMILES notation for N-[1-[6-(3-cyano-5-fluoro-2-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]ethyl]cyclopropanesulfonamide?

The canonical SMILES for N-[1-[6-(3-cyano-5-fluoro-2-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]ethyl]cyclopropanesulfonamide is CC(NS(=O)(=O)C1CC1)c1cn(CC(C)(C)C)c2cc(-c3ncc(F)cc3C#N)c(F)cc12.

What is the InChIKey of N-[1-[6-(3-cyano-5-fluoro-2-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]ethyl]cyclopropanesulfonamide?

The InChIKey is PKMVTYZFLXCNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N4O2S/c1-14(29-33(31,32)17-5-6-17)20-12-30(13-24(2,3)4)22-9-19(21(26)8-18(20)22)23-15(10-27)7-16(25)11-28-23/h7-9,11-12,14,17,29H,5-6,13H2,1-4H3.

What are the key properties of N-[1-[6-(3-cyano-5-fluoro-2-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]ethyl]cyclopropanesulfonamide?

N-[1-[6-(3-cyano-5-fluoro-2-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]ethyl]cyclopropanesulfonamide has a molecular weight of 472.56 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[6-(3-cyano-5-fluoro-2-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]ethyl]cyclopropanesulfonamide is sourced from PubChem (CID 168956638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).