5-(cyclopentylmethyl)-N-[4-[5-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide

C24H26F3N5O3 — CID 154658659

IUPAC5-(cyclopentylmethyl)-N-[4-[5-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide
SMILESCOCCOc1ccc(C(F)(F)F)c(-c2ccnc(NC(=O)c3n[nH]c(CC4CCCC4)n3)c2)c1
InChIInChI=1S/C24H26F3N5O3/c1-34-10-11-35-17-6-7-19(24(25,26)27)18(14-17)16-8-9-28-20(13-16)30-23(33)22-29-21(31-32-22)12-15-4-2-3-5-15/h6-9,13-15H,2-5,10-12H2,1H3,(H,28,30,33)(H,29,31,32)
InChIKeyYVLHMCOANOODOH-UHFFFAOYSA-N
MW489.50 g/mol
LogP4.90
Rot. Bonds9

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

5-(cyclopentylmethyl)-N-[4-[5-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide (PubChem CID 154658659) has the molecular formula C24H26F3N5O3 and a molecular weight of 489.50 g/mol. Its IUPAC name is 5-(cyclopentylmethyl)-N-[4-[5-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-(cyclopentylmethyl)-N-[4-[5-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide
PubChem CID154658659
Molecular FormulaC24H26F3N5O3
Molecular Weight489.50 g/mol
Exact Mass489.20
IUPAC Name5-(cyclopentylmethyl)-N-[4-[5-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide
SMILESCOCCOc1ccc(C(F)(F)F)c(-c2ccnc(NC(=O)c3n[nH]c(CC4CCCC4)n3)c2)c1
InChIInChI=1S/C24H26F3N5O3/c1-34-10-11-35-17-6-7-19(24(25,26)27)18(14-17)16-8-9-28-20(13-16)30-23(33)22-29-21(31-32-22)12-15-4-2-3-5-15/h6-9,13-15H,2-5,10-12H2,1H3,(H,28,30,33)(H,29,31,32)
InChIKeyYVLHMCOANOODOH-UHFFFAOYSA-N
XLogP4.90
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.50
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentylmethyl)-N-[4-[5-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-(cyclopentylmethyl)-N-[4-[5-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide (CID 154658659) is 5-(cyclopentylmethyl)-N-[4-[5-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-(cyclopentylmethyl)-N-[4-[5-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-(cyclopentylmethyl)-N-[4-[5-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide is COCCOc1ccc(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-methoxyethoxy)-2-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is YVLHMCOANOODOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N5O3/c1-34-10-11-35-17-6-7-19(24(25,26)27)18(14-17)16-8-9-28-20(13-16)30-23(33)22-29-21(31-32-22)12-15-4-2-3-5-15/h6-9,13-15H,2-5,10-12H2,1H3,(H,28,30,33)(H,29,31,32).
What are the key properties of 5-(cyclopentylmethyl)-N-[4-[5-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide?
5-(cyclopentylmethyl)-N-[4-[5-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 489.50 g/mol, XLogP of 4.90, 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-methoxyethoxy)-2-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 154658659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).