(3S)-N-(2-fluorophenyl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide

C18H19FN6O — CID 51686882

About (3S)-N-(2-fluorophenyl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide

(3S)-N-(2-fluorophenyl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide (PubChem CID 51686882) has the molecular formula C18H19FN6O and a molecular weight of 354.39 g/mol. Its IUPAC name is (3S)-N-(2-fluorophenyl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-N-(2-fluorophenyl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide
• PubChem CID: 51686882
• Molecular Formula: C18H19FN6O
• Molecular Weight: 354.39 g/mol
• Exact Mass: 354.16
• IUPAC Name: (3S)-N-(2-fluorophenyl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide
• SMILES: Cc1cc(N2CCC[C@H](C(=O)Nc3ccccc3F)C2)n2ncnc2n1
• InChI: InChI=1S/C18H19FN6O/c1-12-9-16(25-18(22-12)20-11-21-25)24-8-4-5-13(10-24)17(26)23-15-7-3-2-6-14(15)19/h2-3,6-7,9,11,13H,4-5,8,10H2,1H3,(H,23,26)/t13-/m0/s1
• InChIKey: VQCGDGHREQYYJH-ZDUSSCGKSA-N
• XLogP: 2.43
• TPSA: 75.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.39
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-fluorophenyl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide?

The IUPAC name of (3S)-N-(2-fluorophenyl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide (CID 51686882) is (3S)-N-(2-fluorophenyl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide.

What is the SMILES notation for (3S)-N-(2-fluorophenyl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide?

The canonical SMILES for (3S)-N-(2-fluorophenyl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide is Cc1cc(N2CCC[C@H](C(=O)Nc3ccccc3F)C2)n2ncnc2n1.

What is the InChIKey of (3S)-N-(2-fluorophenyl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide?

The InChIKey is VQCGDGHREQYYJH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H19FN6O/c1-12-9-16(25-18(22-12)20-11-21-25)24-8-4-5-13(10-24)17(26)23-15-7-3-2-6-14(15)19/h2-3,6-7,9,11,13H,4-5,8,10H2,1H3,(H,23,26)/t13-/m0/s1.

What are the key properties of (3S)-N-(2-fluorophenyl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide?

(3S)-N-(2-fluorophenyl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide has a molecular weight of 354.39 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-N-(2-fluorophenyl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide is sourced from PubChem (CID 51686882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).