N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide

C22H22N6O2 — CID 56560855

About N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide

N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide (PubChem CID 56560855) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide.

Molecular Properties

• Compound Name: N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
• PubChem CID: 56560855
• Molecular Formula: C22H22N6O2
• Molecular Weight: 402.46 g/mol
• Exact Mass: 402.18
• IUPAC Name: N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
• SMILES: Cc1ccc2nc(COc3cccc(C(=O)NCc4nncn4C4CC4)c3)cn2c1
• InChI: InChI=1S/C22H22N6O2/c1-15-5-8-20-25-17(12-27(20)11-15)13-30-19-4-2-3-16(9-19)22(29)23-10-21-26-24-14-28(21)18-6-7-18/h2-5,8-9,11-12,14,18H,6-7,10,13H2,1H3,(H,23,29)
• InChIKey: FMVXLDWAYCFCPK-UHFFFAOYSA-N
• XLogP: 3.08
• TPSA: 86.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.46
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?

The IUPAC name of N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide (CID 56560855) is N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide.

What is the SMILES notation for N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?

The canonical SMILES for N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide is Cc1ccc2nc(COc3cccc(C(=O)NCc4nncn4C4CC4)c3)cn2c1.

What is the InChIKey of N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?

The InChIKey is FMVXLDWAYCFCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-15-5-8-20-25-17(12-27(20)11-15)13-30-19-4-2-3-16(9-19)22(29)23-10-21-26-24-14-28(21)18-6-7-18/h2-5,8-9,11-12,14,18H,6-7,10,13H2,1H3,(H,23,29).

What are the key properties of N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?

N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide has a molecular weight of 402.46 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide is sourced from PubChem (CID 56560855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).