1-cyclopentyl-2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]-2H-pyridin-6-yl]indole-3,5-dicarbonitrile

C23H21F3N4 — CID 141298504

About 1-cyclopentyl-2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]-2H-pyridin-6-yl]indole-3,5-dicarbonitrile

1-cyclopentyl-2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]-2H-pyridin-6-yl]indole-3,5-dicarbonitrile (PubChem CID 141298504) has the molecular formula C23H21F3N4 and a molecular weight of 410.44 g/mol. Its IUPAC name is 1-cyclopentyl-2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]-2H-pyridin-6-yl]indole-3,5-dicarbonitrile.

Molecular Properties

• Compound Name: 1-cyclopentyl-2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]-2H-pyridin-6-yl]indole-3,5-dicarbonitrile
• PubChem CID: 141298504
• Molecular Formula: C23H21F3N4
• Molecular Weight: 410.44 g/mol
• Exact Mass: 410.17
• IUPAC Name: 1-cyclopentyl-2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]-2H-pyridin-6-yl]indole-3,5-dicarbonitrile
• SMILES: C[C@H](N1CC=CC=C1c1c(C#N)c2cc(C#N)ccc2n1C1CCCC1)C(F)(F)F
• InChI: InChI=1S/C23H21F3N4/c1-15(23(24,25)26)29-11-5-4-8-21(29)22-19(14-28)18-12-16(13-27)9-10-20(18)30(22)17-6-2-3-7-17/h4-5,8-10,12,15,17H,2-3,6-7,11H2,1H3/t15-/m0/s1
• InChIKey: HBGLLZFYHWFZHR-HNNXBMFYSA-N
• XLogP: 5.66
• TPSA: 55.75 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	410.44
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]-2H-pyridin-6-yl]indole-3,5-dicarbonitrile?

The IUPAC name of 1-cyclopentyl-2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]-2H-pyridin-6-yl]indole-3,5-dicarbonitrile (CID 141298504) is 1-cyclopentyl-2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]-2H-pyridin-6-yl]indole-3,5-dicarbonitrile.

What is the SMILES notation for 1-cyclopentyl-2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]-2H-pyridin-6-yl]indole-3,5-dicarbonitrile?

The canonical SMILES for 1-cyclopentyl-2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]-2H-pyridin-6-yl]indole-3,5-dicarbonitrile is C[C@H](N1CC=CC=C1c1c(C#N)c2cc(C#N)ccc2n1C1CCCC1)C(F)(F)F.

What is the InChIKey of 1-cyclopentyl-2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]-2H-pyridin-6-yl]indole-3,5-dicarbonitrile?

The InChIKey is HBGLLZFYHWFZHR-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H21F3N4/c1-15(23(24,25)26)29-11-5-4-8-21(29)22-19(14-28)18-12-16(13-27)9-10-20(18)30(22)17-6-2-3-7-17/h4-5,8-10,12,15,17H,2-3,6-7,11H2,1H3/t15-/m0/s1.

What are the key properties of 1-cyclopentyl-2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]-2H-pyridin-6-yl]indole-3,5-dicarbonitrile?

1-cyclopentyl-2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]-2H-pyridin-6-yl]indole-3,5-dicarbonitrile has a molecular weight of 410.44 g/mol, XLogP of 5.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopentyl-2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]-2H-pyridin-6-yl]indole-3,5-dicarbonitrile is sourced from PubChem (CID 141298504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).