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

C21H23N7O3 — CID 166598509

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

formic acid;2-(2-methylbenzimidazol-1-yl)-1-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone (PubChem CID 166598509) has the molecular formula C21H23N7O3 and a molecular weight of 421.46 g/mol. Its IUPAC name is formic acid;2-(2-methylbenzimidazol-1-yl)-1-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone.

Molecular Properties

• Compound Name: formic acid;2-(2-methylbenzimidazol-1-yl)-1-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone
• PubChem CID: 166598509
• Molecular Formula: C21H23N7O3
• Molecular Weight: 421.46 g/mol
• Exact Mass: 421.19
• IUPAC Name: formic acid;2-(2-methylbenzimidazol-1-yl)-1-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone
• SMILES: Cc1nc2ccccc2n1CC(=O)N1Cc2[nH]cnc2C(c2cnn(C)c2)C1.O=CO
• InChI: InChI=1S/C20H21N7O.CH2O2/c1-13-24-16-5-3-4-6-18(16)27(13)11-19(28)26-9-15(14-7-23-25(2)8-14)20-17(10-26)21-12-22-20;2-1-3/h3-8,12,15H,9-11H2,1-2H3,(H,21,22);1H,(H,2,3)
• InChIKey: MOCDTVXZFVERBJ-UHFFFAOYSA-N
• XLogP: 1.68
• TPSA: 121.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.46
LogP ≤ 5	1.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of formic acid;2-(2-methylbenzimidazol-1-yl)-1-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone (CID 166598509) is formic acid;2-(2-methylbenzimidazol-1-yl)-1-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone.

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

The canonical SMILES for formic acid;2-(2-methylbenzimidazol-1-yl)-1-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone is Cc1nc2ccccc2n1CC(=O)N1Cc2[nH]cnc2C(c2cnn(C)c2)C1.O=CO.

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

The InChIKey is MOCDTVXZFVERBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O.CH2O2/c1-13-24-16-5-3-4-6-18(16)27(13)11-19(28)26-9-15(14-7-23-25(2)8-14)20-17(10-26)21-12-22-20;2-1-3/h3-8,12,15H,9-11H2,1-2H3,(H,21,22);1H,(H,2,3).

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

formic acid;2-(2-methylbenzimidazol-1-yl)-1-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone has a molecular weight of 421.46 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for formic acid;2-(2-methylbenzimidazol-1-yl)-1-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 166598509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).