[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-3-pyridinyl]-[3-[(4-methoxyphenyl)methyl]piperidin-1-yl]methanone

C26H28N6O3 — CID 150349405

About [5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-3-pyridinyl]-[3-[(4-methoxyphenyl)methyl]piperidin-1-yl]methanone

[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-3-pyridinyl]-[3-[(4-methoxyphenyl)methyl]piperidin-1-yl]methanone (PubChem CID 150349405) has the molecular formula C26H28N6O3 and a molecular weight of 472.55 g/mol. Its IUPAC name is [5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-3-pyridinyl]-[3-[(4-methoxyphenyl)methyl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-3-pyridinyl]-[3-[(4-methoxyphenyl)methyl]piperidin-1-yl]methanone
• PubChem CID: 150349405
• Molecular Formula: C26H28N6O3
• Molecular Weight: 472.55 g/mol
• Exact Mass: 472.22
• IUPAC Name: [5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-3-pyridinyl]-[3-[(4-methoxyphenyl)methyl]piperidin-1-yl]methanone
• SMILES: COc1ccc(CC2CCCN(C(=O)c3cc(-c4ccn5nc(N)nc5c4)cnc3OC)C2)cc1
• InChI: InChI=1S/C26H28N6O3/c1-34-21-7-5-17(6-8-21)12-18-4-3-10-31(16-18)25(33)22-13-20(15-28-24(22)35-2)19-9-11-32-23(14-19)29-26(27)30-32/h5-9,11,13-15,18H,3-4,10,12,16H2,1-2H3,(H2,27,30)
• InChIKey: GTKKODLPPDMVNT-UHFFFAOYSA-N
• XLogP: 3.49
• TPSA: 107.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.55
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-3-pyridinyl]-[3-[(4-methoxyphenyl)methyl]piperidin-1-yl]methanone?

The IUPAC name of [5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-3-pyridinyl]-[3-[(4-methoxyphenyl)methyl]piperidin-1-yl]methanone (CID 150349405) is [5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-3-pyridinyl]-[3-[(4-methoxyphenyl)methyl]piperidin-1-yl]methanone.

What is the SMILES notation for [5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-3-pyridinyl]-[3-[(4-methoxyphenyl)methyl]piperidin-1-yl]methanone?

The canonical SMILES for [5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-3-pyridinyl]-[3-[(4-methoxyphenyl)methyl]piperidin-1-yl]methanone is COc1ccc(CC2CCCN(C(=O)c3cc(-c4ccn5nc(N)nc5c4)cnc3OC)C2)cc1.

What is the InChIKey of [5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-3-pyridinyl]-[3-[(4-methoxyphenyl)methyl]piperidin-1-yl]methanone?

The InChIKey is GTKKODLPPDMVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O3/c1-34-21-7-5-17(6-8-21)12-18-4-3-10-31(16-18)25(33)22-13-20(15-28-24(22)35-2)19-9-11-32-23(14-19)29-26(27)30-32/h5-9,11,13-15,18H,3-4,10,12,16H2,1-2H3,(H2,27,30).

What are the key properties of [5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-3-pyridinyl]-[3-[(4-methoxyphenyl)methyl]piperidin-1-yl]methanone?

[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-3-pyridinyl]-[3-[(4-methoxyphenyl)methyl]piperidin-1-yl]methanone has a molecular weight of 472.55 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-3-pyridinyl]-[3-[(4-methoxyphenyl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 150349405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).