2-amino-6-[4-[[5-chloro-6-(1,5-dihydrotriazol-2-yl)-2-methyl-3-pyridinyl]carbamoyl]-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide

C19H16ClF3N10O2 — CID 153377429

About 2-amino-6-[4-[[5-chloro-6-(1,5-dihydrotriazol-2-yl)-2-methyl-3-pyridinyl]carbamoyl]-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide

2-amino-6-[4-[[5-chloro-6-(1,5-dihydrotriazol-2-yl)-2-methyl-3-pyridinyl]carbamoyl]-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide (PubChem CID 153377429) has the molecular formula C19H16ClF3N10O2 and a molecular weight of 508.85 g/mol. Its IUPAC name is 2-amino-6-[4-[[5-chloro-6-(1,5-dihydrotriazol-2-yl)-2-methyl-3-pyridinyl]carbamoyl]-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-amino-6-[4-[[5-chloro-6-(1,5-dihydrotriazol-2-yl)-2-methyl-3-pyridinyl]carbamoyl]-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide
• PubChem CID: 153377429
• Molecular Formula: C19H16ClF3N10O2
• Molecular Weight: 508.85 g/mol
• Exact Mass: 508.11
• IUPAC Name: 2-amino-6-[4-[[5-chloro-6-(1,5-dihydrotriazol-2-yl)-2-methyl-3-pyridinyl]carbamoyl]-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide
• SMILES: Cc1nc(N2N=CCN2)c(Cl)cc1NC(=O)c1cnn(-c2ccc(C(N)=O)c(N)n2)c1C(F)(F)F
• InChI: InChI=1S/C19H16ClF3N10O2/c1-8-12(6-11(20)17(29-8)33-26-4-5-27-33)30-18(35)10-7-28-32(14(10)19(21,22)23)13-3-2-9(16(25)34)15(24)31-13/h2-4,6-7,27H,5H2,1H3,(H2,24,31)(H2,25,34)(H,30,35)
• InChIKey: WVVKBIFPWAVWAP-UHFFFAOYSA-N
• XLogP: 1.89
• TPSA: 169.44 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.85
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[4-[[5-chloro-6-(1,5-dihydrotriazol-2-yl)-2-methyl-3-pyridinyl]carbamoyl]-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide?

The IUPAC name of 2-amino-6-[4-[[5-chloro-6-(1,5-dihydrotriazol-2-yl)-2-methyl-3-pyridinyl]carbamoyl]-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide (CID 153377429) is 2-amino-6-[4-[[5-chloro-6-(1,5-dihydrotriazol-2-yl)-2-methyl-3-pyridinyl]carbamoyl]-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide.

What is the SMILES notation for 2-amino-6-[4-[[5-chloro-6-(1,5-dihydrotriazol-2-yl)-2-methyl-3-pyridinyl]carbamoyl]-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide?

The canonical SMILES for 2-amino-6-[4-[[5-chloro-6-(1,5-dihydrotriazol-2-yl)-2-methyl-3-pyridinyl]carbamoyl]-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide is Cc1nc(N2N=CCN2)c(Cl)cc1NC(=O)c1cnn(-c2ccc(C(N)=O)c(N)n2)c1C(F)(F)F.

What is the InChIKey of 2-amino-6-[4-[[5-chloro-6-(1,5-dihydrotriazol-2-yl)-2-methyl-3-pyridinyl]carbamoyl]-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide?

The InChIKey is WVVKBIFPWAVWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF3N10O2/c1-8-12(6-11(20)17(29-8)33-26-4-5-27-33)30-18(35)10-7-28-32(14(10)19(21,22)23)13-3-2-9(16(25)34)15(24)31-13/h2-4,6-7,27H,5H2,1H3,(H2,24,31)(H2,25,34)(H,30,35).

What are the key properties of 2-amino-6-[4-[[5-chloro-6-(1,5-dihydrotriazol-2-yl)-2-methyl-3-pyridinyl]carbamoyl]-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide?

2-amino-6-[4-[[5-chloro-6-(1,5-dihydrotriazol-2-yl)-2-methyl-3-pyridinyl]carbamoyl]-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide has a molecular weight of 508.85 g/mol, XLogP of 1.89, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-6-[4-[[5-chloro-6-(1,5-dihydrotriazol-2-yl)-2-methyl-3-pyridinyl]carbamoyl]-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 153377429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).