1-[4-(dimethylamino)-3-methylphenyl]-5-(2,2-diphenylacetyl)-2,4-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid

C32H34N4O3 — CID 70072187

About 1-[4-(dimethylamino)-3-methylphenyl]-5-(2,2-diphenylacetyl)-2,4-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid

1-[4-(dimethylamino)-3-methylphenyl]-5-(2,2-diphenylacetyl)-2,4-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 70072187) has the molecular formula C32H34N4O3 and a molecular weight of 522.65 g/mol. Its IUPAC name is 1-[4-(dimethylamino)-3-methylphenyl]-5-(2,2-diphenylacetyl)-2,4-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

• Compound Name: 1-[4-(dimethylamino)-3-methylphenyl]-5-(2,2-diphenylacetyl)-2,4-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
• PubChem CID: 70072187
• Molecular Formula: C32H34N4O3
• Molecular Weight: 522.65 g/mol
• Exact Mass: 522.26
• IUPAC Name: 1-[4-(dimethylamino)-3-methylphenyl]-5-(2,2-diphenylacetyl)-2,4-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
• SMILES: Cc1cc(-n2c(C)nc3c2CC(C(=O)O)N(C(=O)C(c2ccccc2)c2ccccc2)C3C)ccc1N(C)C
• InChI: InChI=1S/C32H34N4O3/c1-20-18-25(16-17-26(20)34(4)5)36-22(3)33-30-21(2)35(28(32(38)39)19-27(30)36)31(37)29(23-12-8-6-9-13-23)24-14-10-7-11-15-24/h6-18,21,28-29H,19H2,1-5H3,(H,38,39)
• InChIKey: UZFKMTPNRDTNKF-UHFFFAOYSA-N
• XLogP: 5.29
• TPSA: 78.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.65
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)-3-methylphenyl]-5-(2,2-diphenylacetyl)-2,4-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid?

The IUPAC name of 1-[4-(dimethylamino)-3-methylphenyl]-5-(2,2-diphenylacetyl)-2,4-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid (CID 70072187) is 1-[4-(dimethylamino)-3-methylphenyl]-5-(2,2-diphenylacetyl)-2,4-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid.

What is the SMILES notation for 1-[4-(dimethylamino)-3-methylphenyl]-5-(2,2-diphenylacetyl)-2,4-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid?

The canonical SMILES for 1-[4-(dimethylamino)-3-methylphenyl]-5-(2,2-diphenylacetyl)-2,4-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid is Cc1cc(-n2c(C)nc3c2CC(C(=O)O)N(C(=O)C(c2ccccc2)c2ccccc2)C3C)ccc1N(C)C.

What is the InChIKey of 1-[4-(dimethylamino)-3-methylphenyl]-5-(2,2-diphenylacetyl)-2,4-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid?

The InChIKey is UZFKMTPNRDTNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N4O3/c1-20-18-25(16-17-26(20)34(4)5)36-22(3)33-30-21(2)35(28(32(38)39)19-27(30)36)31(37)29(23-12-8-6-9-13-23)24-14-10-7-11-15-24/h6-18,21,28-29H,19H2,1-5H3,(H,38,39).

What are the key properties of 1-[4-(dimethylamino)-3-methylphenyl]-5-(2,2-diphenylacetyl)-2,4-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid?

1-[4-(dimethylamino)-3-methylphenyl]-5-(2,2-diphenylacetyl)-2,4-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 522.65 g/mol, XLogP of 5.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(dimethylamino)-3-methylphenyl]-5-(2,2-diphenylacetyl)-2,4-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 70072187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).