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

C19H24N8O — CID 97448676

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

3-[(2R)-1-methyl-4-pyrimidin-2-ylpiperazin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 97448676) has the molecular formula C19H24N8O and a molecular weight of 380.46 g/mol. Its IUPAC name is 3-[(2R)-1-methyl-4-pyrimidin-2-ylpiperazin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 3-[(2R)-1-methyl-4-pyrimidin-2-ylpiperazin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
• PubChem CID: 97448676
• Molecular Formula: C19H24N8O
• Molecular Weight: 380.46 g/mol
• Exact Mass: 380.21
• IUPAC Name: 3-[(2R)-1-methyl-4-pyrimidin-2-ylpiperazin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
• SMILES: CC(C)NC(=O)c1ccc2nnc([C@H]3CN(c4ncccn4)CCN3C)n2c1
• InChI: InChI=1S/C19H24N8O/c1-13(2)22-18(28)14-5-6-16-23-24-17(27(16)11-14)15-12-26(10-9-25(15)3)19-20-7-4-8-21-19/h4-8,11,13,15H,9-10,12H2,1-3H3,(H,22,28)/t15-/m1/s1
• InChIKey: PYFIWFAZSQHDRI-OAHLLOKOSA-N
• XLogP: 1.15
• TPSA: 91.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.46
LogP ≤ 5	1.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 3-[(2R)-1-methyl-4-pyrimidin-2-ylpiperazin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 97448676) is 3-[(2R)-1-methyl-4-pyrimidin-2-ylpiperazin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

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

The canonical SMILES for 3-[(2R)-1-methyl-4-pyrimidin-2-ylpiperazin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is CC(C)NC(=O)c1ccc2nnc([C@H]3CN(c4ncccn4)CCN3C)n2c1.

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

The InChIKey is PYFIWFAZSQHDRI-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24N8O/c1-13(2)22-18(28)14-5-6-16-23-24-17(27(16)11-14)15-12-26(10-9-25(15)3)19-20-7-4-8-21-19/h4-8,11,13,15H,9-10,12H2,1-3H3,(H,22,28)/t15-/m1/s1.

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

3-[(2R)-1-methyl-4-pyrimidin-2-ylpiperazin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 380.46 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2R)-1-methyl-4-pyrimidin-2-ylpiperazin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 97448676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).