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

C26H29F3N8O2 — CID 143962289

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

5-[5-(1,5-dimethylpyrazol-4-yl)-1,2-dihydrotriazol-3-yl]-6-methyl-N-[2-methyl-3-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 143962289) has the molecular formula C26H29F3N8O2 and a molecular weight of 542.57 g/mol. Its IUPAC name is 5-[5-(1,5-dimethylpyrazol-4-yl)-1,2-dihydrotriazol-3-yl]-6-methyl-N-[2-methyl-3-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[5-(1,5-dimethylpyrazol-4-yl)-1,2-dihydrotriazol-3-yl]-6-methyl-N-[2-methyl-3-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
• PubChem CID: 143962289
• Molecular Formula: C26H29F3N8O2
• Molecular Weight: 542.57 g/mol
• Exact Mass: 542.24
• IUPAC Name: 5-[5-(1,5-dimethylpyrazol-4-yl)-1,2-dihydrotriazol-3-yl]-6-methyl-N-[2-methyl-3-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
• SMILES: Cc1ncc(C(=O)Nc2cc(C(F)(F)F)cc(N3CCOCC3)c2C)cc1N1C=C(c2cnn(C)c2C)NN1
• InChI: InChI=1S/C26H29F3N8O2/c1-15-21(10-19(26(27,28)29)11-23(15)36-5-7-39-8-6-36)32-25(38)18-9-24(16(2)30-12-18)37-14-22(33-34-37)20-13-31-35(4)17(20)3/h9-14,33-34H,5-8H2,1-4H3,(H,32,38)
• InChIKey: JKNRDIBKDCQQGF-UHFFFAOYSA-N
• XLogP: 3.68
• TPSA: 99.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	542.57
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 5-[5-(1,5-dimethylpyrazol-4-yl)-1,2-dihydrotriazol-3-yl]-6-methyl-N-[2-methyl-3-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 143962289) is 5-[5-(1,5-dimethylpyrazol-4-yl)-1,2-dihydrotriazol-3-yl]-6-methyl-N-[2-methyl-3-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

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

The canonical SMILES for 5-[5-(1,5-dimethylpyrazol-4-yl)-1,2-dihydrotriazol-3-yl]-6-methyl-N-[2-methyl-3-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide is Cc1ncc(C(=O)Nc2cc(C(F)(F)F)cc(N3CCOCC3)c2C)cc1N1C=C(c2cnn(C)c2C)NN1.

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

The InChIKey is JKNRDIBKDCQQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F3N8O2/c1-15-21(10-19(26(27,28)29)11-23(15)36-5-7-39-8-6-36)32-25(38)18-9-24(16(2)30-12-18)37-14-22(33-34-37)20-13-31-35(4)17(20)3/h9-14,33-34H,5-8H2,1-4H3,(H,32,38).

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

5-[5-(1,5-dimethylpyrazol-4-yl)-1,2-dihydrotriazol-3-yl]-6-methyl-N-[2-methyl-3-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 542.57 g/mol, XLogP of 3.68, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-(1,5-dimethylpyrazol-4-yl)-1,2-dihydrotriazol-3-yl]-6-methyl-N-[2-methyl-3-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 143962289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).