4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide

C26H32N8O2 — CID 70929649

About 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide

4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide (PubChem CID 70929649) has the molecular formula C26H32N8O2 and a molecular weight of 488.60 g/mol. Its IUPAC name is 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide.

Molecular Properties

• Compound Name: 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
• PubChem CID: 70929649
• Molecular Formula: C26H32N8O2
• Molecular Weight: 488.60 g/mol
• Exact Mass: 488.26
• IUPAC Name: 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
• SMILES: O=C(Nc1nc2cccc(N3CCN(C(=O)Nc4ccc(N5CCCCC5)cc4)CC3)n2n1)C1CC1
• InChI: InChI=1S/C26H32N8O2/c35-24(19-7-8-19)29-25-28-22-5-4-6-23(34(22)30-25)32-15-17-33(18-16-32)26(36)27-20-9-11-21(12-10-20)31-13-2-1-3-14-31/h4-6,9-12,19H,1-3,7-8,13-18H2,(H,27,36)(H,29,30,35)
• InChIKey: MIPPQQJBAXXUQZ-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 98.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.60
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide?

The IUPAC name of 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide (CID 70929649) is 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide.

What is the SMILES notation for 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide?

The canonical SMILES for 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide is O=C(Nc1nc2cccc(N3CCN(C(=O)Nc4ccc(N5CCCCC5)cc4)CC3)n2n1)C1CC1.

What is the InChIKey of 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide?

The InChIKey is MIPPQQJBAXXUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N8O2/c35-24(19-7-8-19)29-25-28-22-5-4-6-23(34(22)30-25)32-15-17-33(18-16-32)26(36)27-20-9-11-21(12-10-20)31-13-2-1-3-14-31/h4-6,9-12,19H,1-3,7-8,13-18H2,(H,27,36)(H,29,30,35).

What are the key properties of 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide?

4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide has a molecular weight of 488.60 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 70929649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).