N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-[2-(2,5-dimethylpyrrol-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide

C25H17F3N12O — CID 134610336

About N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-[2-(2,5-dimethylpyrrol-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide

N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-[2-(2,5-dimethylpyrrol-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 134610336) has the molecular formula C25H17F3N12O and a molecular weight of 558.49 g/mol. Its IUPAC name is N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-[2-(2,5-dimethylpyrrol-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-[2-(2,5-dimethylpyrrol-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
• PubChem CID: 134610336
• Molecular Formula: C25H17F3N12O
• Molecular Weight: 558.49 g/mol
• Exact Mass: 558.16
• IUPAC Name: N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-[2-(2,5-dimethylpyrrol-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
• SMILES: Cc1ccc(C)n1-c1nc2cccc(-n3ncc(C(=O)Nc4cnc(-n5nccn5)c(C#N)c4)c3C(F)(F)F)n2n1
• InChI: InChI=1S/C25H17F3N12O/c1-14-6-7-15(2)37(14)24-35-19-4-3-5-20(38(19)36-24)39-21(25(26,27)28)18(13-33-39)23(41)34-17-10-16(11-29)22(30-12-17)40-31-8-9-32-40/h3-10,12-13H,1-2H3,(H,34,41)
• InChIKey: DFKLMPMYXBJQHU-UHFFFAOYSA-N
• XLogP: 3.44
• TPSA: 149.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	558.49
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-[2-(2,5-dimethylpyrrol-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide?

The IUPAC name of N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-[2-(2,5-dimethylpyrrol-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 134610336) is N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-[2-(2,5-dimethylpyrrol-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide.

What is the SMILES notation for N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-[2-(2,5-dimethylpyrrol-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide?

The canonical SMILES for N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-[2-(2,5-dimethylpyrrol-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide is Cc1ccc(C)n1-c1nc2cccc(-n3ncc(C(=O)Nc4cnc(-n5nccn5)c(C#N)c4)c3C(F)(F)F)n2n1.

What is the InChIKey of N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-[2-(2,5-dimethylpyrrol-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide?

The InChIKey is DFKLMPMYXBJQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F3N12O/c1-14-6-7-15(2)37(14)24-35-19-4-3-5-20(38(19)36-24)39-21(25(26,27)28)18(13-33-39)23(41)34-17-10-16(11-29)22(30-12-17)40-31-8-9-32-40/h3-10,12-13H,1-2H3,(H,34,41).

What are the key properties of N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-[2-(2,5-dimethylpyrrol-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide?

N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-[2-(2,5-dimethylpyrrol-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 558.49 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-[2-(2,5-dimethylpyrrol-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 134610336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).