N-cyclobutyl-3-[(2R)-1-methyl-4-pyrimidin-2-ylpiperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C20H24N8O — CID 97448670

About N-cyclobutyl-3-[(2R)-1-methyl-4-pyrimidin-2-ylpiperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

N-cyclobutyl-3-[(2R)-1-methyl-4-pyrimidin-2-ylpiperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 97448670) has the molecular formula C20H24N8O and a molecular weight of 392.47 g/mol. Its IUPAC name is N-cyclobutyl-3-[(2R)-1-methyl-4-pyrimidin-2-ylpiperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: N-cyclobutyl-3-[(2R)-1-methyl-4-pyrimidin-2-ylpiperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
• PubChem CID: 97448670
• Molecular Formula: C20H24N8O
• Molecular Weight: 392.47 g/mol
• Exact Mass: 392.21
• IUPAC Name: N-cyclobutyl-3-[(2R)-1-methyl-4-pyrimidin-2-ylpiperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
• SMILES: CN1CCN(c2ncccn2)C[C@@H]1c1nnc2ccc(C(=O)NC3CCC3)cn12
• InChI: InChI=1S/C20H24N8O/c1-26-10-11-27(20-21-8-3-9-22-20)13-16(26)18-25-24-17-7-6-14(12-28(17)18)19(29)23-15-4-2-5-15/h3,6-9,12,15-16H,2,4-5,10-11,13H2,1H3,(H,23,29)/t16-/m1/s1
• InChIKey: SZUNAHNYGASWNK-MRXNPFEDSA-N
• XLogP: 1.29
• TPSA: 91.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.47
LogP ≤ 5	1.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-3-[(2R)-1-methyl-4-pyrimidin-2-ylpiperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?

The IUPAC name of N-cyclobutyl-3-[(2R)-1-methyl-4-pyrimidin-2-ylpiperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 97448670) is N-cyclobutyl-3-[(2R)-1-methyl-4-pyrimidin-2-ylpiperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

What is the SMILES notation for N-cyclobutyl-3-[(2R)-1-methyl-4-pyrimidin-2-ylpiperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?

The canonical SMILES for N-cyclobutyl-3-[(2R)-1-methyl-4-pyrimidin-2-ylpiperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is CN1CCN(c2ncccn2)C[C@@H]1c1nnc2ccc(C(=O)NC3CCC3)cn12.

What is the InChIKey of N-cyclobutyl-3-[(2R)-1-methyl-4-pyrimidin-2-ylpiperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?

The InChIKey is SZUNAHNYGASWNK-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H24N8O/c1-26-10-11-27(20-21-8-3-9-22-20)13-16(26)18-25-24-17-7-6-14(12-28(17)18)19(29)23-15-4-2-5-15/h3,6-9,12,15-16H,2,4-5,10-11,13H2,1H3,(H,23,29)/t16-/m1/s1.

What are the key properties of N-cyclobutyl-3-[(2R)-1-methyl-4-pyrimidin-2-ylpiperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?

N-cyclobutyl-3-[(2R)-1-methyl-4-pyrimidin-2-ylpiperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 392.47 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclobutyl-3-[(2R)-1-methyl-4-pyrimidin-2-ylpiperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 97448670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).