2-[4-[3-propan-2-yl-2-[8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1H-indol-5-yl]piperidin-1-yl]acetonitrile

C25H25F3N6 — CID 135319385

About 2-[4-[3-propan-2-yl-2-[8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1H-indol-5-yl]piperidin-1-yl]acetonitrile

2-[4-[3-propan-2-yl-2-[8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1H-indol-5-yl]piperidin-1-yl]acetonitrile (PubChem CID 135319385) has the molecular formula C25H25F3N6 and a molecular weight of 466.51 g/mol. Its IUPAC name is 2-[4-[3-propan-2-yl-2-[8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1H-indol-5-yl]piperidin-1-yl]acetonitrile.

Molecular Properties

• Compound Name: 2-[4-[3-propan-2-yl-2-[8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1H-indol-5-yl]piperidin-1-yl]acetonitrile
• PubChem CID: 135319385
• Molecular Formula: C25H25F3N6
• Molecular Weight: 466.51 g/mol
• Exact Mass: 466.21
• IUPAC Name: 2-[4-[3-propan-2-yl-2-[8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1H-indol-5-yl]piperidin-1-yl]acetonitrile
• SMILES: CC(C)c1c(-c2cc(C(F)(F)F)c3ncnn3c2)[nH]c2ccc(C3CCN(CC#N)CC3)cc12
• InChI: InChI=1S/C25H25F3N6/c1-15(2)22-19-11-17(16-5-8-33(9-6-16)10-7-29)3-4-21(19)32-23(22)18-12-20(25(26,27)28)24-30-14-31-34(24)13-18/h3-4,11-16,32H,5-6,8-10H2,1-2H3
• InChIKey: UZTGVVJCFOFRAW-UHFFFAOYSA-N
• XLogP: 5.72
• TPSA: 73.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.51
LogP ≤ 5	5.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cyanamide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-propan-2-yl-2-[8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1H-indol-5-yl]piperidin-1-yl]acetonitrile?

The IUPAC name of 2-[4-[3-propan-2-yl-2-[8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1H-indol-5-yl]piperidin-1-yl]acetonitrile (CID 135319385) is 2-[4-[3-propan-2-yl-2-[8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1H-indol-5-yl]piperidin-1-yl]acetonitrile.

What is the SMILES notation for 2-[4-[3-propan-2-yl-2-[8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1H-indol-5-yl]piperidin-1-yl]acetonitrile?

The canonical SMILES for 2-[4-[3-propan-2-yl-2-[8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1H-indol-5-yl]piperidin-1-yl]acetonitrile is CC(C)c1c(-c2cc(C(F)(F)F)c3ncnn3c2)[nH]c2ccc(C3CCN(CC#N)CC3)cc12.

What is the InChIKey of 2-[4-[3-propan-2-yl-2-[8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1H-indol-5-yl]piperidin-1-yl]acetonitrile?

The InChIKey is UZTGVVJCFOFRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N6/c1-15(2)22-19-11-17(16-5-8-33(9-6-16)10-7-29)3-4-21(19)32-23(22)18-12-20(25(26,27)28)24-30-14-31-34(24)13-18/h3-4,11-16,32H,5-6,8-10H2,1-2H3.

What are the key properties of 2-[4-[3-propan-2-yl-2-[8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1H-indol-5-yl]piperidin-1-yl]acetonitrile?

2-[4-[3-propan-2-yl-2-[8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1H-indol-5-yl]piperidin-1-yl]acetonitrile has a molecular weight of 466.51 g/mol, XLogP of 5.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-propan-2-yl-2-[8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1H-indol-5-yl]piperidin-1-yl]acetonitrile is sourced from PubChem (CID 135319385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).