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-methylpyridine-3-carboxylic acid;methane

C43H49F3N14O3 — CID 158874927

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-methylpyridine-3-carboxylic acid;methane

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-methylpyridine-3-carboxylic acid;methane (PubChem CID 158874927) has the molecular formula C43H49F3N14O3 and a molecular weight of 866.95 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;5-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-6-methylpyridine-3-carboxylic acid;methane.

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;5-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-6-methylpyridine-3-carboxylic acid;methane
• PubChem CID: 158874927
• Molecular Formula: C43H49F3N14O3
• Molecular Weight: 866.95 g/mol
• Exact Mass: 866.41
• 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;5-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-6-methylpyridine-3-carboxylic acid;methane
• SMILES: C.C.Cc1ncc(C(=O)Nc2cc(C3=CCNCC3)c(C)c(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2C)nn1.Cc1ncc(C(=O)O)cc1-n1cc(-c2cnn(C)c2C)nn1
• InChI: InChI=1S/C27H27F3N8O.C14H14N6O2.2CH4/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;1-8-13(4-10(5-15-8)14(21)22)20-7-12(17-18-20)11-6-16-19(3)9(11)2;;/h5,9-14,31H,6-8H2,1-4H3,(H,34,39);4-7H,1-3H3,(H,21,22);2*1H4
• InChIKey: JCHUKFGFCSJBIJ-UHFFFAOYSA-N
• XLogP: 7.29
• TPSA: 201.27 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 8
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	866.95
LogP ≤ 5	7.29
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

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;5-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-6-methylpyridine-3-carboxylic acid;methane?

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;5-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-6-methylpyridine-3-carboxylic acid;methane (CID 158874927) 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;5-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-6-methylpyridine-3-carboxylic acid;methane.

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;5-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-6-methylpyridine-3-carboxylic acid;methane?

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;5-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-6-methylpyridine-3-carboxylic acid;methane is C.C.Cc1ncc(C(=O)Nc2cc(C3=CCNCC3)c(C)c(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2C)nn1.Cc1ncc(C(=O)O)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;5-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-6-methylpyridine-3-carboxylic acid;methane?

The InChIKey is JCHUKFGFCSJBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F3N8O.C14H14N6O2.2CH4/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;1-8-13(4-10(5-15-8)14(21)22)20-7-12(17-18-20)11-6-16-19(3)9(11)2;;/h5,9-14,31H,6-8H2,1-4H3,(H,34,39);4-7H,1-3H3,(H,21,22);2*1H4.

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-methylpyridine-3-carboxylic acid;methane?

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-methylpyridine-3-carboxylic acid;methane has a molecular weight of 866.95 g/mol, XLogP of 7.29, 8 rotatable bonds, 3 hydrogen bond donors, and 15 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;5-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-6-methylpyridine-3-carboxylic acid;methane is sourced from PubChem (CID 158874927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).