5-(cyclopentylmethyl)-N-[4-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide

C27H32F3N5O3 — CID 154658536

About 5-(cyclopentylmethyl)-N-[4-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide

5-(cyclopentylmethyl)-N-[4-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide (PubChem CID 154658536) has the molecular formula C27H32F3N5O3 and a molecular weight of 531.58 g/mol. Its IUPAC name is 5-(cyclopentylmethyl)-N-[4-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-(cyclopentylmethyl)-N-[4-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide
• PubChem CID: 154658536
• Molecular Formula: C27H32F3N5O3
• Molecular Weight: 531.58 g/mol
• Exact Mass: 531.25
• IUPAC Name: 5-(cyclopentylmethyl)-N-[4-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide
• SMILES: CC(C)(C)OCCOc1ccc(C(F)(F)F)c(-c2ccnc(NC(=O)c3n[nH]c(CC4CCCC4)n3)c2)c1
• InChI: InChI=1S/C27H32F3N5O3/c1-26(2,3)38-13-12-37-19-8-9-21(27(28,29)30)20(16-19)18-10-11-31-22(15-18)33-25(36)24-32-23(34-35-24)14-17-6-4-5-7-17/h8-11,15-17H,4-7,12-14H2,1-3H3,(H,31,33,36)(H,32,34,35)
• InChIKey: GRJFQZOCIGSLMT-UHFFFAOYSA-N
• XLogP: 6.06
• TPSA: 102.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	531.58
LogP ≤ 5	6.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentylmethyl)-N-[4-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide?

The IUPAC name of 5-(cyclopentylmethyl)-N-[4-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide (CID 154658536) is 5-(cyclopentylmethyl)-N-[4-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide.

What is the SMILES notation for 5-(cyclopentylmethyl)-N-[4-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide?

The canonical SMILES for 5-(cyclopentylmethyl)-N-[4-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide is CC(C)(C)OCCOc1ccc(C(F)(F)F)c(-c2ccnc(NC(=O)c3n[nH]c(CC4CCCC4)n3)c2)c1.

What is the InChIKey of 5-(cyclopentylmethyl)-N-[4-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide?

The InChIKey is GRJFQZOCIGSLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F3N5O3/c1-26(2,3)38-13-12-37-19-8-9-21(27(28,29)30)20(16-19)18-10-11-31-22(15-18)33-25(36)24-32-23(34-35-24)14-17-6-4-5-7-17/h8-11,15-17H,4-7,12-14H2,1-3H3,(H,31,33,36)(H,32,34,35).

What are the key properties of 5-(cyclopentylmethyl)-N-[4-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide?

5-(cyclopentylmethyl)-N-[4-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 531.58 g/mol, XLogP of 6.06, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(cyclopentylmethyl)-N-[4-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 154658536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).