[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]methanone

C23H25N7O2 — CID 86973942

About [3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]methanone

[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]methanone (PubChem CID 86973942) has the molecular formula C23H25N7O2 and a molecular weight of 431.50 g/mol. Its IUPAC name is [3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: [3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]methanone
• PubChem CID: 86973942
• Molecular Formula: C23H25N7O2
• Molecular Weight: 431.50 g/mol
• Exact Mass: 431.21
• IUPAC Name: [3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]methanone
• SMILES: Cc1nc(CN2CCN(C(=O)c3cccc(OCc4cn5ccccc5n4)c3)CC2)n[nH]1
• InChI: InChI=1S/C23H25N7O2/c1-17-24-21(27-26-17)15-28-9-11-29(12-10-28)23(31)18-5-4-6-20(13-18)32-16-19-14-30-8-3-2-7-22(30)25-19/h2-8,13-14H,9-12,15-16H2,1H3,(H,24,26,27)
• InChIKey: ZHEFPBHYNYTELJ-UHFFFAOYSA-N
• XLogP: 2.30
• TPSA: 91.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.50
LogP ≤ 5	2.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]methanone?

The IUPAC name of [3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]methanone (CID 86973942) is [3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]methanone.

What is the SMILES notation for [3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]methanone?

The canonical SMILES for [3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]methanone is Cc1nc(CN2CCN(C(=O)c3cccc(OCc4cn5ccccc5n4)c3)CC2)n[nH]1.

What is the InChIKey of [3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]methanone?

The InChIKey is ZHEFPBHYNYTELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O2/c1-17-24-21(27-26-17)15-28-9-11-29(12-10-28)23(31)18-5-4-6-20(13-18)32-16-19-14-30-8-3-2-7-22(30)25-19/h2-8,13-14H,9-12,15-16H2,1H3,(H,24,26,27).

What are the key properties of [3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]methanone?

[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 431.50 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 86973942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).