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

C19H16ClF4N9O — CID 146285551

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

1-(6-amino-5-fluoro-3-methyl-2-pyridinyl)-N-[5-chloro-6-(1,5-dihydrotriazol-2-yl)-2-methyl-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 146285551) has the molecular formula C19H16ClF4N9O and a molecular weight of 497.84 g/mol. Its IUPAC name is 1-(6-amino-5-fluoro-3-methyl-2-pyridinyl)-N-[5-chloro-6-(1,5-dihydrotriazol-2-yl)-2-methyl-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-(6-amino-5-fluoro-3-methyl-2-pyridinyl)-N-[5-chloro-6-(1,5-dihydrotriazol-2-yl)-2-methyl-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
• PubChem CID: 146285551
• Molecular Formula: C19H16ClF4N9O
• Molecular Weight: 497.84 g/mol
• Exact Mass: 497.11
• IUPAC Name: 1-(6-amino-5-fluoro-3-methyl-2-pyridinyl)-N-[5-chloro-6-(1,5-dihydrotriazol-2-yl)-2-methyl-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
• SMILES: Cc1cc(F)c(N)nc1-n1ncc(C(=O)Nc2cc(Cl)c(N3N=CCN3)nc2C)c1C(F)(F)F
• InChI: InChI=1S/C19H16ClF4N9O/c1-8-5-12(21)15(25)31-16(8)32-14(19(22,23)24)10(7-28-32)18(34)30-13-6-11(20)17(29-9(13)2)33-26-3-4-27-33/h3,5-7,27H,4H2,1-2H3,(H2,25,31)(H,30,34)
• InChIKey: YKKWEIJJHLDGOD-UHFFFAOYSA-N
• XLogP: 3.24
• TPSA: 126.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.84
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 1-(6-amino-5-fluoro-3-methyl-2-pyridinyl)-N-[5-chloro-6-(1,5-dihydrotriazol-2-yl)-2-methyl-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 146285551) is 1-(6-amino-5-fluoro-3-methyl-2-pyridinyl)-N-[5-chloro-6-(1,5-dihydrotriazol-2-yl)-2-methyl-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.

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

The canonical SMILES for 1-(6-amino-5-fluoro-3-methyl-2-pyridinyl)-N-[5-chloro-6-(1,5-dihydrotriazol-2-yl)-2-methyl-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide is Cc1cc(F)c(N)nc1-n1ncc(C(=O)Nc2cc(Cl)c(N3N=CCN3)nc2C)c1C(F)(F)F.

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

The InChIKey is YKKWEIJJHLDGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF4N9O/c1-8-5-12(21)15(25)31-16(8)32-14(19(22,23)24)10(7-28-32)18(34)30-13-6-11(20)17(29-9(13)2)33-26-3-4-27-33/h3,5-7,27H,4H2,1-2H3,(H2,25,31)(H,30,34).

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

1-(6-amino-5-fluoro-3-methyl-2-pyridinyl)-N-[5-chloro-6-(1,5-dihydrotriazol-2-yl)-2-methyl-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 497.84 g/mol, XLogP of 3.24, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(6-amino-5-fluoro-3-methyl-2-pyridinyl)-N-[5-chloro-6-(1,5-dihydrotriazol-2-yl)-2-methyl-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 146285551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).