1-[(Z)-2-methylbut-2-enyl]-5-(4-methylimidazol-1-yl)-6-oxo-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-2-carboxamide

C23H26F3N7O2 — CID 138507672

About 1-[(Z)-2-methylbut-2-enyl]-5-(4-methylimidazol-1-yl)-6-oxo-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-2-carboxamide

1-[(Z)-2-methylbut-2-enyl]-5-(4-methylimidazol-1-yl)-6-oxo-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-2-carboxamide (PubChem CID 138507672) has the molecular formula C23H26F3N7O2 and a molecular weight of 489.50 g/mol. Its IUPAC name is 1-[(Z)-2-methylbut-2-enyl]-5-(4-methylimidazol-1-yl)-6-oxo-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 1-[(Z)-2-methylbut-2-enyl]-5-(4-methylimidazol-1-yl)-6-oxo-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-2-carboxamide
• PubChem CID: 138507672
• Molecular Formula: C23H26F3N7O2
• Molecular Weight: 489.50 g/mol
• Exact Mass: 489.21
• IUPAC Name: 1-[(Z)-2-methylbut-2-enyl]-5-(4-methylimidazol-1-yl)-6-oxo-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-2-carboxamide
• SMILES: C/C=C(/C)Cn1c(C(=O)NCc2nnc3n2CC(C(F)(F)F)CC3)ccc(-n2cnc(C)c2)c1=O
• InChI: InChI=1S/C23H26F3N7O2/c1-4-14(2)10-32-17(6-7-18(22(32)35)31-11-15(3)28-13-31)21(34)27-9-20-30-29-19-8-5-16(12-33(19)20)23(24,25)26/h4,6-7,11,13,16H,5,8-10,12H2,1-3H3,(H,27,34)/b14-4-
• InChIKey: AJDVICNFEADFMB-CPSFFCFKSA-N
• XLogP: 2.95
• TPSA: 99.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.50
LogP ≤ 5	2.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-methylbut-2-enyl]-5-(4-methylimidazol-1-yl)-6-oxo-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-2-carboxamide?

The IUPAC name of 1-[(Z)-2-methylbut-2-enyl]-5-(4-methylimidazol-1-yl)-6-oxo-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-2-carboxamide (CID 138507672) is 1-[(Z)-2-methylbut-2-enyl]-5-(4-methylimidazol-1-yl)-6-oxo-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-2-carboxamide.

What is the SMILES notation for 1-[(Z)-2-methylbut-2-enyl]-5-(4-methylimidazol-1-yl)-6-oxo-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-2-carboxamide?

The canonical SMILES for 1-[(Z)-2-methylbut-2-enyl]-5-(4-methylimidazol-1-yl)-6-oxo-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-2-carboxamide is C/C=C(/C)Cn1c(C(=O)NCc2nnc3n2CC(C(F)(F)F)CC3)ccc(-n2cnc(C)c2)c1=O.

What is the InChIKey of 1-[(Z)-2-methylbut-2-enyl]-5-(4-methylimidazol-1-yl)-6-oxo-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-2-carboxamide?

The InChIKey is AJDVICNFEADFMB-CPSFFCFKSA-N. The full InChI is InChI=1S/C23H26F3N7O2/c1-4-14(2)10-32-17(6-7-18(22(32)35)31-11-15(3)28-13-31)21(34)27-9-20-30-29-19-8-5-16(12-33(19)20)23(24,25)26/h4,6-7,11,13,16H,5,8-10,12H2,1-3H3,(H,27,34)/b14-4-.

What are the key properties of 1-[(Z)-2-methylbut-2-enyl]-5-(4-methylimidazol-1-yl)-6-oxo-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-2-carboxamide?

1-[(Z)-2-methylbut-2-enyl]-5-(4-methylimidazol-1-yl)-6-oxo-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-2-carboxamide has a molecular weight of 489.50 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(Z)-2-methylbut-2-enyl]-5-(4-methylimidazol-1-yl)-6-oxo-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 138507672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).