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

C25H33N7O — CID 131662178

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

3-[4-(cyclopropylmethyl)-1-propan-2-ylpiperazin-2-yl]-N-(2-pyridin-3-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 131662178) has the molecular formula C25H33N7O and a molecular weight of 447.59 g/mol. Its IUPAC name is 3-[4-(cyclopropylmethyl)-1-propan-2-ylpiperazin-2-yl]-N-(2-pyridin-3-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 3-[4-(cyclopropylmethyl)-1-propan-2-ylpiperazin-2-yl]-N-(2-pyridin-3-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
• PubChem CID: 131662178
• Molecular Formula: C25H33N7O
• Molecular Weight: 447.59 g/mol
• Exact Mass: 447.27
• IUPAC Name: 3-[4-(cyclopropylmethyl)-1-propan-2-ylpiperazin-2-yl]-N-(2-pyridin-3-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
• SMILES: CC(C)N1CCN(CC2CC2)CC1c1nnc2ccc(C(=O)NCCc3cccnc3)cn12
• InChI: InChI=1S/C25H33N7O/c1-18(2)31-13-12-30(15-20-5-6-20)17-22(31)24-29-28-23-8-7-21(16-32(23)24)25(33)27-11-9-19-4-3-10-26-14-19/h3-4,7-8,10,14,16,18,20,22H,5-6,9,11-13,15,17H2,1-2H3,(H,27,33)
• InChIKey: OYHADKCVMADNJZ-UHFFFAOYSA-N
• XLogP: 2.57
• TPSA: 78.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.59
LogP ≤ 5	2.57
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-(2-pyridin-3-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?

The IUPAC name of 3-[4-(cyclopropylmethyl)-1-propan-2-ylpiperazin-2-yl]-N-(2-pyridin-3-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 131662178) is 3-[4-(cyclopropylmethyl)-1-propan-2-ylpiperazin-2-yl]-N-(2-pyridin-3-ylethyl)-[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-(2-pyridin-3-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?

The canonical SMILES for 3-[4-(cyclopropylmethyl)-1-propan-2-ylpiperazin-2-yl]-N-(2-pyridin-3-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is CC(C)N1CCN(CC2CC2)CC1c1nnc2ccc(C(=O)NCCc3cccnc3)cn12.

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

The InChIKey is OYHADKCVMADNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N7O/c1-18(2)31-13-12-30(15-20-5-6-20)17-22(31)24-29-28-23-8-7-21(16-32(23)24)25(33)27-11-9-19-4-3-10-26-14-19/h3-4,7-8,10,14,16,18,20,22H,5-6,9,11-13,15,17H2,1-2H3,(H,27,33).

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

3-[4-(cyclopropylmethyl)-1-propan-2-ylpiperazin-2-yl]-N-(2-pyridin-3-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 447.59 g/mol, XLogP of 2.57, 8 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-(2-pyridin-3-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 131662178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).