4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide

C26H25N7O3 — CID 58374586

About 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide

4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide (PubChem CID 58374586) has the molecular formula C26H25N7O3 and a molecular weight of 483.53 g/mol. Its IUPAC name is 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide.

Molecular Properties

• Compound Name: 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
• PubChem CID: 58374586
• Molecular Formula: C26H25N7O3
• Molecular Weight: 483.53 g/mol
• Exact Mass: 483.20
• IUPAC Name: 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
• SMILES: O=C(Nc1ccc(N2CCOCC2)nc1)c1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)cc1
• InChI: InChI=1S/C26H25N7O3/c34-24(28-20-10-11-22(27-16-20)32-12-14-36-15-13-32)18-6-4-17(5-7-18)21-2-1-3-23-29-26(31-33(21)23)30-25(35)19-8-9-19/h1-7,10-11,16,19H,8-9,12-15H2,(H,28,34)(H,30,31,35)
• InChIKey: YMJKZZISQFGHKH-UHFFFAOYSA-N
• XLogP: 3.23
• TPSA: 113.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.53
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide?

The IUPAC name of 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide (CID 58374586) is 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide.

What is the SMILES notation for 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide?

The canonical SMILES for 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide is O=C(Nc1ccc(N2CCOCC2)nc1)c1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)cc1.

What is the InChIKey of 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide?

The InChIKey is YMJKZZISQFGHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O3/c34-24(28-20-10-11-22(27-16-20)32-12-14-36-15-13-32)18-6-4-17(5-7-18)21-2-1-3-23-29-26(31-33(21)23)30-25(35)19-8-9-19/h1-7,10-11,16,19H,8-9,12-15H2,(H,28,34)(H,30,31,35).

What are the key properties of 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide?

4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide has a molecular weight of 483.53 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 8 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-(6-morpholin-4-yl-3-pyridinyl)benzamide is sourced from PubChem (CID 58374586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).