N-[2-[5-(3-chloro-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-triazol-1-yl]ethyl]-N-cyclopentyl-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide

C33H29ClF3N5O3 — CID 67521793

About N-[2-[5-(3-chloro-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-triazol-1-yl]ethyl]-N-cyclopentyl-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide

N-[2-[5-(3-chloro-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-triazol-1-yl]ethyl]-N-cyclopentyl-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 67521793) has the molecular formula C33H29ClF3N5O3 and a molecular weight of 636.07 g/mol. Its IUPAC name is N-[2-[5-(3-chloro-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-triazol-1-yl]ethyl]-N-cyclopentyl-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[5-(3-chloro-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-triazol-1-yl]ethyl]-N-cyclopentyl-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
• PubChem CID: 67521793
• Molecular Formula: C33H29ClF3N5O3
• Molecular Weight: 636.07 g/mol
• Exact Mass: 635.19
• IUPAC Name: N-[2-[5-(3-chloro-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-triazol-1-yl]ethyl]-N-cyclopentyl-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
• SMILES: COc1ccc(-c2nc(-c3ccncc3)nn2CCN(C(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)C2CCCC2)cc1Cl
• InChI: InChI=1S/C33H29ClF3N5O3/c1-44-28-10-9-23(20-26(28)34)31-39-30(21-13-15-38-16-14-21)40-42(31)18-17-41(25-7-2-3-8-25)32(43)29-12-11-27(45-29)22-5-4-6-24(19-22)33(35,36)37/h4-6,9-16,19-20,25H,2-3,7-8,17-18H2,1H3
• InChIKey: QXOMXJLNLHHHQA-UHFFFAOYSA-N
• XLogP: 8.03
• TPSA: 86.28 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	636.07
LogP ≤ 5	8.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(3-chloro-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-triazol-1-yl]ethyl]-N-cyclopentyl-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?

The IUPAC name of N-[2-[5-(3-chloro-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-triazol-1-yl]ethyl]-N-cyclopentyl-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 67521793) is N-[2-[5-(3-chloro-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-triazol-1-yl]ethyl]-N-cyclopentyl-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide.

What is the SMILES notation for N-[2-[5-(3-chloro-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-triazol-1-yl]ethyl]-N-cyclopentyl-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?

The canonical SMILES for N-[2-[5-(3-chloro-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-triazol-1-yl]ethyl]-N-cyclopentyl-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide is COc1ccc(-c2nc(-c3ccncc3)nn2CCN(C(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)C2CCCC2)cc1Cl.

What is the InChIKey of N-[2-[5-(3-chloro-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-triazol-1-yl]ethyl]-N-cyclopentyl-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?

The InChIKey is QXOMXJLNLHHHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29ClF3N5O3/c1-44-28-10-9-23(20-26(28)34)31-39-30(21-13-15-38-16-14-21)40-42(31)18-17-41(25-7-2-3-8-25)32(43)29-12-11-27(45-29)22-5-4-6-24(19-22)33(35,36)37/h4-6,9-16,19-20,25H,2-3,7-8,17-18H2,1H3.

What are the key properties of N-[2-[5-(3-chloro-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-triazol-1-yl]ethyl]-N-cyclopentyl-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?

N-[2-[5-(3-chloro-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-triazol-1-yl]ethyl]-N-cyclopentyl-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 636.07 g/mol, XLogP of 8.03, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[5-(3-chloro-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-triazol-1-yl]ethyl]-N-cyclopentyl-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 67521793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).