2-(5-methylpyrazol-1-yl)-1-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone

C17H18N6O — CID 136573149

About 2-(5-methylpyrazol-1-yl)-1-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone

2-(5-methylpyrazol-1-yl)-1-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone (PubChem CID 136573149) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-(5-methylpyrazol-1-yl)-1-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone.

Molecular Properties

• Compound Name: 2-(5-methylpyrazol-1-yl)-1-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
• PubChem CID: 136573149
• Molecular Formula: C17H18N6O
• Molecular Weight: 322.37 g/mol
• Exact Mass: 322.15
• IUPAC Name: 2-(5-methylpyrazol-1-yl)-1-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
• SMILES: Cc1ccnn1CC(=O)N1CCc2[nH]cnc2C1c1cccnc1
• InChI: InChI=1S/C17H18N6O/c1-12-4-7-21-23(12)10-15(24)22-8-5-14-16(20-11-19-14)17(22)13-3-2-6-18-9-13/h2-4,6-7,9,11,17H,5,8,10H2,1H3,(H,19,20)
• InChIKey: GLAFQUMSPFTTBB-UHFFFAOYSA-N
• XLogP: 1.48
• TPSA: 79.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	322.37
LogP ≤ 5	1.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylpyrazol-1-yl)-1-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone?

The IUPAC name of 2-(5-methylpyrazol-1-yl)-1-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone (CID 136573149) is 2-(5-methylpyrazol-1-yl)-1-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone.

What is the SMILES notation for 2-(5-methylpyrazol-1-yl)-1-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone?

The canonical SMILES for 2-(5-methylpyrazol-1-yl)-1-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone is Cc1ccnn1CC(=O)N1CCc2[nH]cnc2C1c1cccnc1.

What is the InChIKey of 2-(5-methylpyrazol-1-yl)-1-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone?

The InChIKey is GLAFQUMSPFTTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c1-12-4-7-21-23(12)10-15(24)22-8-5-14-16(20-11-19-14)17(22)13-3-2-6-18-9-13/h2-4,6-7,9,11,17H,5,8,10H2,1H3,(H,19,20).

What are the key properties of 2-(5-methylpyrazol-1-yl)-1-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone?

2-(5-methylpyrazol-1-yl)-1-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone has a molecular weight of 322.37 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-methylpyrazol-1-yl)-1-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 136573149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).