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

C27H27F3N8O — CID 58563342

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

5-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-6-methyl-N-[4-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 58563342) 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-[4-methyl-3-(1,2,3,6-tetrahydropyridin-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-[4-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
• PubChem CID: 58563342
• 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-[4-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
• SMILES: Cc1ncc(C(=O)Nc2cc(C3=CCNCC3)c(C)c(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2C)nn1
• InChI: InChI=1S/C27H27F3N8O/c1-15-21(18-5-7-31-8-6-18)10-20(11-23(15)27(28,29)30)34-26(39)19-9-25(16(2)32-12-19)38-14-24(35-36-38)22-13-33-37(4)17(22)3/h5,9-14,31H,6-8H2,1-4H3,(H,34,39)
• InChIKey: OUNWSRNVGKTIJA-UHFFFAOYSA-N
• XLogP: 4.64
• TPSA: 102.55 Ų
• H-Bond Donors: 2
• 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	4.64
H-Bond Donors ≤ 5	2
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-[4-methyl-3-(1,2,3,6-tetrahydropyridin-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-[4-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 58563342) is 5-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-6-methyl-N-[4-methyl-3-(1,2,3,6-tetrahydropyridin-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-[4-methyl-3-(1,2,3,6-tetrahydropyridin-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-[4-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide is Cc1ncc(C(=O)Nc2cc(C3=CCNCC3)c(C)c(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-[4-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide?

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

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

5-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-6-methyl-N-[4-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 536.56 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 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-[4-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 58563342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).