3-[4-(cyclopropylmethyl)-1-propan-2-ylpiperazin-2-yl]-N-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C23H34N6O2 — CID 131657567

About 3-[4-(cyclopropylmethyl)-1-propan-2-ylpiperazin-2-yl]-N-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

3-[4-(cyclopropylmethyl)-1-propan-2-ylpiperazin-2-yl]-N-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 131657567) has the molecular formula C23H34N6O2 and a molecular weight of 426.57 g/mol. Its IUPAC name is 3-[4-(cyclopropylmethyl)-1-propan-2-ylpiperazin-2-yl]-N-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 3-[4-(cyclopropylmethyl)-1-propan-2-ylpiperazin-2-yl]-N-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
• PubChem CID: 131657567
• Molecular Formula: C23H34N6O2
• Molecular Weight: 426.57 g/mol
• Exact Mass: 426.27
• IUPAC Name: 3-[4-(cyclopropylmethyl)-1-propan-2-ylpiperazin-2-yl]-N-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
• SMILES: CC(C)N1CCN(CC2CC2)CC1c1nnc2ccc(C(=O)NCC3CCCO3)cn12
• InChI: InChI=1S/C23H34N6O2/c1-16(2)28-10-9-27(13-17-5-6-17)15-20(28)22-26-25-21-8-7-18(14-29(21)22)23(30)24-12-19-4-3-11-31-19/h7-8,14,16-17,19-20H,3-6,9-13,15H2,1-2H3,(H,24,30)
• InChIKey: NTSGFGPJYWKMJG-UHFFFAOYSA-N
• XLogP: 2.12
• TPSA: 75.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.57
LogP ≤ 5	2.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-[4-(cyclopropylmethyl)-1-propan-2-ylpiperazin-2-yl]-N-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 131657567) is 3-[4-(cyclopropylmethyl)-1-propan-2-ylpiperazin-2-yl]-N-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

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

The canonical SMILES for 3-[4-(cyclopropylmethyl)-1-propan-2-ylpiperazin-2-yl]-N-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is CC(C)N1CCN(CC2CC2)CC1c1nnc2ccc(C(=O)NCC3CCCO3)cn12.

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

The InChIKey is NTSGFGPJYWKMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N6O2/c1-16(2)28-10-9-27(13-17-5-6-17)15-20(28)22-26-25-21-8-7-18(14-29(21)22)23(30)24-12-19-4-3-11-31-19/h7-8,14,16-17,19-20H,3-6,9-13,15H2,1-2H3,(H,24,30).

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

3-[4-(cyclopropylmethyl)-1-propan-2-ylpiperazin-2-yl]-N-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 426.57 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(cyclopropylmethyl)-1-propan-2-ylpiperazin-2-yl]-N-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 131657567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).