1-(6-amino-5-cyano-2-pyridinyl)-N-[5-chloro-2-methyl-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

C19H12ClF3N10O — CID 146285538

About 1-(6-amino-5-cyano-2-pyridinyl)-N-[5-chloro-2-methyl-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

1-(6-amino-5-cyano-2-pyridinyl)-N-[5-chloro-2-methyl-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 146285538) has the molecular formula C19H12ClF3N10O and a molecular weight of 488.82 g/mol. Its IUPAC name is 1-(6-amino-5-cyano-2-pyridinyl)-N-[5-chloro-2-methyl-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-(6-amino-5-cyano-2-pyridinyl)-N-[5-chloro-2-methyl-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
• PubChem CID: 146285538
• Molecular Formula: C19H12ClF3N10O
• Molecular Weight: 488.82 g/mol
• Exact Mass: 488.08
• IUPAC Name: 1-(6-amino-5-cyano-2-pyridinyl)-N-[5-chloro-2-methyl-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
• SMILES: Cc1nc(-n2nccn2)c(Cl)cc1NC(=O)c1cnn(-c2ccc(C#N)c(N)n2)c1C(F)(F)F
• InChI: InChI=1S/C19H12ClF3N10O/c1-9-13(6-12(20)17(29-9)33-26-4-5-27-33)30-18(34)11-8-28-32(15(11)19(21,22)23)14-3-2-10(7-24)16(25)31-14/h2-6,8H,1H3,(H2,25,31)(H,30,34)
• InChIKey: FYDOYUKNPLSTNU-UHFFFAOYSA-N
• XLogP: 2.93
• TPSA: 153.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.82
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-5-cyano-2-pyridinyl)-N-[5-chloro-2-methyl-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?

The IUPAC name of 1-(6-amino-5-cyano-2-pyridinyl)-N-[5-chloro-2-methyl-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 146285538) is 1-(6-amino-5-cyano-2-pyridinyl)-N-[5-chloro-2-methyl-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.

What is the SMILES notation for 1-(6-amino-5-cyano-2-pyridinyl)-N-[5-chloro-2-methyl-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?

The canonical SMILES for 1-(6-amino-5-cyano-2-pyridinyl)-N-[5-chloro-2-methyl-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide is Cc1nc(-n2nccn2)c(Cl)cc1NC(=O)c1cnn(-c2ccc(C#N)c(N)n2)c1C(F)(F)F.

What is the InChIKey of 1-(6-amino-5-cyano-2-pyridinyl)-N-[5-chloro-2-methyl-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?

The InChIKey is FYDOYUKNPLSTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF3N10O/c1-9-13(6-12(20)17(29-9)33-26-4-5-27-33)30-18(34)11-8-28-32(15(11)19(21,22)23)14-3-2-10(7-24)16(25)31-14/h2-6,8H,1H3,(H2,25,31)(H,30,34).

What are the key properties of 1-(6-amino-5-cyano-2-pyridinyl)-N-[5-chloro-2-methyl-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?

1-(6-amino-5-cyano-2-pyridinyl)-N-[5-chloro-2-methyl-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 488.82 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(6-amino-5-cyano-2-pyridinyl)-N-[5-chloro-2-methyl-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 146285538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).