2-(1-aminocyclohexyl)-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]acetamide

C26H26F3N5O — CID 162705288

About 2-(1-aminocyclohexyl)-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]acetamide

2-(1-aminocyclohexyl)-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]acetamide (PubChem CID 162705288) has the molecular formula C26H26F3N5O and a molecular weight of 481.52 g/mol. Its IUPAC name is 2-(1-aminocyclohexyl)-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]acetamide.

Molecular Properties

• Compound Name: 2-(1-aminocyclohexyl)-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]acetamide
• PubChem CID: 162705288
• Molecular Formula: C26H26F3N5O
• Molecular Weight: 481.52 g/mol
• Exact Mass: 481.21
• IUPAC Name: 2-(1-aminocyclohexyl)-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]acetamide
• SMILES: NC1(CC(=O)Nc2c[nH]c3ccc(-c4cnn(-c5ccc(C(F)(F)F)cc5)c4)cc23)CCCCC1
• InChI: InChI=1S/C26H26F3N5O/c27-26(28,29)19-5-7-20(8-6-19)34-16-18(14-32-34)17-4-9-22-21(12-17)23(15-31-22)33-24(35)13-25(30)10-2-1-3-11-25/h4-9,12,14-16,31H,1-3,10-11,13,30H2,(H,33,35)
• InChIKey: BZMLQPDIWVZMCL-UHFFFAOYSA-N
• XLogP: 6.03
• TPSA: 88.73 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.52
LogP ≤ 5	6.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclohexyl)-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]acetamide?

The IUPAC name of 2-(1-aminocyclohexyl)-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]acetamide (CID 162705288) is 2-(1-aminocyclohexyl)-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]acetamide.

What is the SMILES notation for 2-(1-aminocyclohexyl)-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]acetamide?

The canonical SMILES for 2-(1-aminocyclohexyl)-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]acetamide is NC1(CC(=O)Nc2c[nH]c3ccc(-c4cnn(-c5ccc(C(F)(F)F)cc5)c4)cc23)CCCCC1.

What is the InChIKey of 2-(1-aminocyclohexyl)-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]acetamide?

The InChIKey is BZMLQPDIWVZMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N5O/c27-26(28,29)19-5-7-20(8-6-19)34-16-18(14-32-34)17-4-9-22-21(12-17)23(15-31-22)33-24(35)13-25(30)10-2-1-3-11-25/h4-9,12,14-16,31H,1-3,10-11,13,30H2,(H,33,35).

What are the key properties of 2-(1-aminocyclohexyl)-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]acetamide?

2-(1-aminocyclohexyl)-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]acetamide has a molecular weight of 481.52 g/mol, XLogP of 6.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-aminocyclohexyl)-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]acetamide is sourced from PubChem (CID 162705288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).