5-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-6-methyl-N-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C27H27F3N8O — CID 45254683

About 5-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-6-methyl-N-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide

5-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-6-methyl-N-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 45254683) has the molecular formula C27H27F3N8O and a molecular weight of 536.56 g/mol. Its IUPAC name is 5-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-6-methyl-N-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-6-methyl-N-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
• PubChem CID: 45254683
• Molecular Formula: C27H27F3N8O
• Molecular Weight: 536.56 g/mol
• Exact Mass: 536.23
• IUPAC Name: 5-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-6-methyl-N-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
• SMILES: Cc1ncc(C(=O)Nc2cc(C3=CCN(C)CC3)cc(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2C)nn1
• InChI: InChI=1S/C27H27F3N8O/c1-16-25(38-15-24(34-35-38)23-14-32-37(4)17(23)2)11-20(13-31-16)26(39)33-22-10-19(9-21(12-22)27(28,29)30)18-5-7-36(3)8-6-18/h5,9-15H,6-8H2,1-4H3,(H,33,39)
• InChIKey: WQDHWWVZLLSRQC-UHFFFAOYSA-N
• XLogP: 4.67
• TPSA: 93.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.56
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-6-methyl-N-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide?

The IUPAC name of 5-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-6-methyl-N-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 45254683) is 5-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-6-methyl-N-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

What is the SMILES notation for 5-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-6-methyl-N-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide?

The canonical SMILES for 5-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-6-methyl-N-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide is Cc1ncc(C(=O)Nc2cc(C3=CCN(C)CC3)cc(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2C)nn1.

What is the InChIKey of 5-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-6-methyl-N-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide?

The InChIKey is WQDHWWVZLLSRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F3N8O/c1-16-25(38-15-24(34-35-38)23-14-32-37(4)17(23)2)11-20(13-31-16)26(39)33-22-10-19(9-21(12-22)27(28,29)30)18-5-7-36(3)8-6-18/h5,9-15H,6-8H2,1-4H3,(H,33,39).

What are the key properties of 5-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-6-methyl-N-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide?

5-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-6-methyl-N-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 536.56 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-6-methyl-N-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 45254683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).