N-cyclopropyl-5-[1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]triazol-4-yl]-2-methylpyridine-3-carboxamide;5-[1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]triazol-4-yl]-2-methylpyridine-3-carboxylic acid

C43H35F14N9O3 — CID 159474556

About N-cyclopropyl-5-[1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]triazol-4-yl]-2-methylpyridine-3-carboxamide;5-[1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]triazol-4-yl]-2-methylpyridine-3-carboxylic acid

N-cyclopropyl-5-[1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]triazol-4-yl]-2-methylpyridine-3-carboxamide;5-[1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]triazol-4-yl]-2-methylpyridine-3-carboxylic acid (PubChem CID 159474556) has the molecular formula C43H35F14N9O3 and a molecular weight of 991.78 g/mol. Its IUPAC name is N-cyclopropyl-5-[1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]triazol-4-yl]-2-methylpyridine-3-carboxamide;5-[1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]triazol-4-yl]-2-methylpyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: N-cyclopropyl-5-[1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]triazol-4-yl]-2-methylpyridine-3-carboxamide;5-[1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]triazol-4-yl]-2-methylpyridine-3-carboxylic acid
• PubChem CID: 159474556
• Molecular Formula: C43H35F14N9O3
• Molecular Weight: 991.78 g/mol
• Exact Mass: 991.26
• IUPAC Name: N-cyclopropyl-5-[1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]triazol-4-yl]-2-methylpyridine-3-carboxamide;5-[1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]triazol-4-yl]-2-methylpyridine-3-carboxylic acid
• SMILES: Cc1cc(C(F)(C(F)(F)F)C(F)(F)F)cc(C)c1-n1cc(-c2cnc(C)c(C(=O)NC3CC3)c2)nn1.Cc1cc(C(F)(C(F)(F)F)C(F)(F)F)cc(C)c1-n1cc(-c2cnc(C)c(C(=O)O)c2)nn1
• InChI: InChI=1S/C23H20F7N5O.C20H15F7N4O2/c1-11-6-15(21(24,22(25,26)27)23(28,29)30)7-12(2)19(11)35-10-18(33-34-35)14-8-17(13(3)31-9-14)20(36)32-16-4-5-16;1-9-4-13(18(21,19(22,23)24)20(25,26)27)5-10(2)16(9)31-8-15(29-30-31)12-6-14(17(32)33)11(3)28-7-12/h6-10,16H,4-5H2,1-3H3,(H,32,36);4-8H,1-3H3,(H,32,33)
• InChIKey: LWFHJHDASIMBCI-UHFFFAOYSA-N
• XLogP: 10.68
• TPSA: 153.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	991.78
LogP ≤ 5	10.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]triazol-4-yl]-2-methylpyridine-3-carboxamide;5-[1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]triazol-4-yl]-2-methylpyridine-3-carboxylic acid?

The IUPAC name of N-cyclopropyl-5-[1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]triazol-4-yl]-2-methylpyridine-3-carboxamide;5-[1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]triazol-4-yl]-2-methylpyridine-3-carboxylic acid (CID 159474556) is N-cyclopropyl-5-[1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]triazol-4-yl]-2-methylpyridine-3-carboxamide;5-[1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]triazol-4-yl]-2-methylpyridine-3-carboxylic acid.

What is the SMILES notation for N-cyclopropyl-5-[1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]triazol-4-yl]-2-methylpyridine-3-carboxamide;5-[1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]triazol-4-yl]-2-methylpyridine-3-carboxylic acid?

The canonical SMILES for N-cyclopropyl-5-[1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]triazol-4-yl]-2-methylpyridine-3-carboxamide;5-[1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]triazol-4-yl]-2-methylpyridine-3-carboxylic acid is Cc1cc(C(F)(C(F)(F)F)C(F)(F)F)cc(C)c1-n1cc(-c2cnc(C)c(C(=O)NC3CC3)c2)nn1.Cc1cc(C(F)(C(F)(F)F)C(F)(F)F)cc(C)c1-n1cc(-c2cnc(C)c(C(=O)O)c2)nn1.

What is the InChIKey of N-cyclopropyl-5-[1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]triazol-4-yl]-2-methylpyridine-3-carboxamide;5-[1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]triazol-4-yl]-2-methylpyridine-3-carboxylic acid?

The InChIKey is LWFHJHDASIMBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F7N5O.C20H15F7N4O2/c1-11-6-15(21(24,22(25,26)27)23(28,29)30)7-12(2)19(11)35-10-18(33-34-35)14-8-17(13(3)31-9-14)20(36)32-16-4-5-16;1-9-4-13(18(21,19(22,23)24)20(25,26)27)5-10(2)16(9)31-8-15(29-30-31)12-6-14(17(32)33)11(3)28-7-12/h6-10,16H,4-5H2,1-3H3,(H,32,36);4-8H,1-3H3,(H,32,33).

What are the key properties of N-cyclopropyl-5-[1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]triazol-4-yl]-2-methylpyridine-3-carboxamide;5-[1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]triazol-4-yl]-2-methylpyridine-3-carboxylic acid?

N-cyclopropyl-5-[1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]triazol-4-yl]-2-methylpyridine-3-carboxamide;5-[1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]triazol-4-yl]-2-methylpyridine-3-carboxylic acid has a molecular weight of 991.78 g/mol, XLogP of 10.68, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-5-[1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]triazol-4-yl]-2-methylpyridine-3-carboxamide;5-[1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]triazol-4-yl]-2-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 159474556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).