N-[[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]methyl]-N-methyl-3-(2,2,2-trifluoroethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine

C20H17F7N4 — CID 71735909

About N-[[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]methyl]-N-methyl-3-(2,2,2-trifluoroethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine

N-[[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]methyl]-N-methyl-3-(2,2,2-trifluoroethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine (PubChem CID 71735909) has the molecular formula C20H17F7N4 and a molecular weight of 446.37 g/mol. Its IUPAC name is N-[[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]methyl]-N-methyl-3-(2,2,2-trifluoroethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine.

Molecular Properties

• Compound Name: N-[[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]methyl]-N-methyl-3-(2,2,2-trifluoroethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine
• PubChem CID: 71735909
• Molecular Formula: C20H17F7N4
• Molecular Weight: 446.37 g/mol
• Exact Mass: 446.13
• IUPAC Name: N-[[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]methyl]-N-methyl-3-(2,2,2-trifluoroethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine
• SMILES: CN(C[C@@H]1C[C@H]1c1ccc(F)cc1)c1ccn2c(CC(F)(F)F)nnc2c1C(F)(F)F
• InChI: InChI=1S/C20H17F7N4/c1-30(10-12-8-14(12)11-2-4-13(21)5-3-11)15-6-7-31-16(9-19(22,23)24)28-29-18(31)17(15)20(25,26)27/h2-7,12,14H,8-10H2,1H3/t12-,14-/m0/s1
• InChIKey: MMRJJDSMUFEDBW-JSGCOSHPSA-N
• XLogP: 5.23
• TPSA: 33.43 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	446.37
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]methyl]-N-methyl-3-(2,2,2-trifluoroethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine?

The IUPAC name of N-[[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]methyl]-N-methyl-3-(2,2,2-trifluoroethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine (CID 71735909) is N-[[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]methyl]-N-methyl-3-(2,2,2-trifluoroethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine.

What is the SMILES notation for N-[[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]methyl]-N-methyl-3-(2,2,2-trifluoroethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine?

The canonical SMILES for N-[[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]methyl]-N-methyl-3-(2,2,2-trifluoroethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine is CN(C[C@@H]1C[C@H]1c1ccc(F)cc1)c1ccn2c(CC(F)(F)F)nnc2c1C(F)(F)F.

What is the InChIKey of N-[[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]methyl]-N-methyl-3-(2,2,2-trifluoroethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine?

The InChIKey is MMRJJDSMUFEDBW-JSGCOSHPSA-N. The full InChI is InChI=1S/C20H17F7N4/c1-30(10-12-8-14(12)11-2-4-13(21)5-3-11)15-6-7-31-16(9-19(22,23)24)28-29-18(31)17(15)20(25,26)27/h2-7,12,14H,8-10H2,1H3/t12-,14-/m0/s1.

What are the key properties of N-[[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]methyl]-N-methyl-3-(2,2,2-trifluoroethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine?

N-[[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]methyl]-N-methyl-3-(2,2,2-trifluoroethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine has a molecular weight of 446.37 g/mol, XLogP of 5.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]methyl]-N-methyl-3-(2,2,2-trifluoroethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine is sourced from PubChem (CID 71735909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).