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

C22H23N7O3 — CID 166598682

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

(1-benzylpyrazol-4-yl)-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;formic acid (PubChem CID 166598682) has the molecular formula C22H23N7O3 and a molecular weight of 433.47 g/mol. Its IUPAC name is (1-benzylpyrazol-4-yl)-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;formic acid.

Molecular Properties

• Compound Name: (1-benzylpyrazol-4-yl)-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;formic acid
• PubChem CID: 166598682
• Molecular Formula: C22H23N7O3
• Molecular Weight: 433.47 g/mol
• Exact Mass: 433.19
• IUPAC Name: (1-benzylpyrazol-4-yl)-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;formic acid
• SMILES: Cn1cc(C2CN(C(=O)c3cnn(Cc4ccccc4)c3)Cc3[nH]cnc32)cn1.O=CO
• InChI: InChI=1S/C21H21N7O.CH2O2/c1-26-10-16(7-24-26)18-12-27(13-19-20(18)23-14-22-19)21(29)17-8-25-28(11-17)9-15-5-3-2-4-6-15;2-1-3/h2-8,10-11,14,18H,9,12-13H2,1H3,(H,22,23);1H,(H,2,3)
• InChIKey: IZIRDTWJWGMJLP-UHFFFAOYSA-N
• XLogP: 1.88
• TPSA: 121.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.47
LogP ≤ 5	1.88
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 (1-benzylpyrazol-4-yl)-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;formic acid?

The IUPAC name of (1-benzylpyrazol-4-yl)-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;formic acid (CID 166598682) is (1-benzylpyrazol-4-yl)-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;formic acid.

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

The canonical SMILES for (1-benzylpyrazol-4-yl)-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;formic acid is Cn1cc(C2CN(C(=O)c3cnn(Cc4ccccc4)c3)Cc3[nH]cnc32)cn1.O=CO.

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

The InChIKey is IZIRDTWJWGMJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O.CH2O2/c1-26-10-16(7-24-26)18-12-27(13-19-20(18)23-14-22-19)21(29)17-8-25-28(11-17)9-15-5-3-2-4-6-15;2-1-3/h2-8,10-11,14,18H,9,12-13H2,1H3,(H,22,23);1H,(H,2,3).

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

(1-benzylpyrazol-4-yl)-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;formic acid has a molecular weight of 433.47 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (1-benzylpyrazol-4-yl)-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;formic acid is sourced from PubChem (CID 166598682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).