1-[2-fluoro-4-[5-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]-1,2-dihydrotriazol-3-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide

C24H23F7N10O2 — CID 154982465

About 1-[2-fluoro-4-[5-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]-1,2-dihydrotriazol-3-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide

1-[2-fluoro-4-[5-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]-1,2-dihydrotriazol-3-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide (PubChem CID 154982465) has the molecular formula C24H23F7N10O2 and a molecular weight of 616.50 g/mol. Its IUPAC name is 1-[2-fluoro-4-[5-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]-1,2-dihydrotriazol-3-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-[2-fluoro-4-[5-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]-1,2-dihydrotriazol-3-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide
• PubChem CID: 154982465
• Molecular Formula: C24H23F7N10O2
• Molecular Weight: 616.50 g/mol
• Exact Mass: 616.19
• IUPAC Name: 1-[2-fluoro-4-[5-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]-1,2-dihydrotriazol-3-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide
• SMILES: O=C(NCc1ccc(C(F)(F)F)cn1)C1=CN(CCC(F)Cn2cc(C(=O)NCc3cc(C(F)(F)F)ccn3)nn2)NN1
• InChI: InChI=1S/C24H23F7N10O2/c25-16(11-41-13-20(37-39-41)22(43)35-10-18-7-14(3-5-32-18)23(26,27)28)4-6-40-12-19(36-38-40)21(42)34-9-17-2-1-15(8-33-17)24(29,30)31/h1-3,5,7-8,12-13,16,36,38H,4,6,9-11H2,(H,34,42)(H,35,43)
• InChIKey: LYMXSKCXDDODIF-UHFFFAOYSA-N
• XLogP: 2.25
• TPSA: 141.99 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	616.50
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-[5-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]-1,2-dihydrotriazol-3-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide?

The IUPAC name of 1-[2-fluoro-4-[5-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]-1,2-dihydrotriazol-3-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide (CID 154982465) is 1-[2-fluoro-4-[5-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]-1,2-dihydrotriazol-3-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide.

What is the SMILES notation for 1-[2-fluoro-4-[5-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]-1,2-dihydrotriazol-3-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide?

The canonical SMILES for 1-[2-fluoro-4-[5-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]-1,2-dihydrotriazol-3-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide is O=C(NCc1ccc(C(F)(F)F)cn1)C1=CN(CCC(F)Cn2cc(C(=O)NCc3cc(C(F)(F)F)ccn3)nn2)NN1.

What is the InChIKey of 1-[2-fluoro-4-[5-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]-1,2-dihydrotriazol-3-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide?

The InChIKey is LYMXSKCXDDODIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F7N10O2/c25-16(11-41-13-20(37-39-41)22(43)35-10-18-7-14(3-5-32-18)23(26,27)28)4-6-40-12-19(36-38-40)21(42)34-9-17-2-1-15(8-33-17)24(29,30)31/h1-3,5,7-8,12-13,16,36,38H,4,6,9-11H2,(H,34,42)(H,35,43).

What are the key properties of 1-[2-fluoro-4-[5-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]-1,2-dihydrotriazol-3-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide?

1-[2-fluoro-4-[5-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]-1,2-dihydrotriazol-3-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide has a molecular weight of 616.50 g/mol, XLogP of 2.25, 11 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-fluoro-4-[5-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]-1,2-dihydrotriazol-3-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 154982465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).