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

C21H25N5O4 — CID 166598227

About (2-ethyl-5-methylpyrazol-3-yl)-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;formic acid

(2-ethyl-5-methylpyrazol-3-yl)-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;formic acid (PubChem CID 166598227) has the molecular formula C21H25N5O4 and a molecular weight of 411.46 g/mol. Its IUPAC name is (2-ethyl-5-methylpyrazol-3-yl)-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;formic acid.

Molecular Properties

• Compound Name: (2-ethyl-5-methylpyrazol-3-yl)-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;formic acid
• PubChem CID: 166598227
• Molecular Formula: C21H25N5O4
• Molecular Weight: 411.46 g/mol
• Exact Mass: 411.19
• IUPAC Name: (2-ethyl-5-methylpyrazol-3-yl)-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;formic acid
• SMILES: CCn1nc(C)cc1C(=O)N1Cc2[nH]cnc2C(c2cccc(OC)c2)C1.O=CO
• InChI: InChI=1S/C20H23N5O2.CH2O2/c1-4-25-18(8-13(2)23-25)20(26)24-10-16(19-17(11-24)21-12-22-19)14-6-5-7-15(9-14)27-3;2-1-3/h5-9,12,16H,4,10-11H2,1-3H3,(H,21,22);1H,(H,2,3)
• InChIKey: RUYOALHCDHLQLB-UHFFFAOYSA-N
• XLogP: 2.43
• TPSA: 113.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.46
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (2-ethyl-5-methylpyrazol-3-yl)-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;formic acid (CID 166598227) is (2-ethyl-5-methylpyrazol-3-yl)-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;formic acid.

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

The canonical SMILES for (2-ethyl-5-methylpyrazol-3-yl)-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;formic acid is CCn1nc(C)cc1C(=O)N1Cc2[nH]cnc2C(c2cccc(OC)c2)C1.O=CO.

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

The InChIKey is RUYOALHCDHLQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2.CH2O2/c1-4-25-18(8-13(2)23-25)20(26)24-10-16(19-17(11-24)21-12-22-19)14-6-5-7-15(9-14)27-3;2-1-3/h5-9,12,16H,4,10-11H2,1-3H3,(H,21,22);1H,(H,2,3).

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

(2-ethyl-5-methylpyrazol-3-yl)-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;formic acid has a molecular weight of 411.46 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2-ethyl-5-methylpyrazol-3-yl)-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;formic acid is sourced from PubChem (CID 166598227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).