4-[[3-(3,5-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-phenylethyl)piperazine-1-carboxamide

C28H32N6O — CID 53022727

About 4-[[3-(3,5-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-phenylethyl)piperazine-1-carboxamide

4-[[3-(3,5-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-phenylethyl)piperazine-1-carboxamide (PubChem CID 53022727) has the molecular formula C28H32N6O and a molecular weight of 468.61 g/mol. Its IUPAC name is 4-[[3-(3,5-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-phenylethyl)piperazine-1-carboxamide.

Molecular Properties

• Compound Name: 4-[[3-(3,5-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-phenylethyl)piperazine-1-carboxamide
• PubChem CID: 53022727
• Molecular Formula: C28H32N6O
• Molecular Weight: 468.61 g/mol
• Exact Mass: 468.26
• IUPAC Name: 4-[[3-(3,5-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-phenylethyl)piperazine-1-carboxamide
• SMILES: Cc1cc(C)cc(-n2c(CN3CCN(C(=O)NCCc4ccccc4)CC3)nc3cccnc32)c1
• InChI: InChI=1S/C28H32N6O/c1-21-17-22(2)19-24(18-21)34-26(31-25-9-6-11-29-27(25)34)20-32-13-15-33(16-14-32)28(35)30-12-10-23-7-4-3-5-8-23/h3-9,11,17-19H,10,12-16,20H2,1-2H3,(H,30,35)
• InChIKey: RLHRQBLWNCAJJF-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 66.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.61
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(3,5-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-phenylethyl)piperazine-1-carboxamide?

The IUPAC name of 4-[[3-(3,5-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-phenylethyl)piperazine-1-carboxamide (CID 53022727) is 4-[[3-(3,5-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-phenylethyl)piperazine-1-carboxamide.

What is the SMILES notation for 4-[[3-(3,5-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-phenylethyl)piperazine-1-carboxamide?

The canonical SMILES for 4-[[3-(3,5-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-phenylethyl)piperazine-1-carboxamide is Cc1cc(C)cc(-n2c(CN3CCN(C(=O)NCCc4ccccc4)CC3)nc3cccnc32)c1.

What is the InChIKey of 4-[[3-(3,5-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-phenylethyl)piperazine-1-carboxamide?

The InChIKey is RLHRQBLWNCAJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O/c1-21-17-22(2)19-24(18-21)34-26(31-25-9-6-11-29-27(25)34)20-32-13-15-33(16-14-32)28(35)30-12-10-23-7-4-3-5-8-23/h3-9,11,17-19H,10,12-16,20H2,1-2H3,(H,30,35).

What are the key properties of 4-[[3-(3,5-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-phenylethyl)piperazine-1-carboxamide?

4-[[3-(3,5-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-phenylethyl)piperazine-1-carboxamide has a molecular weight of 468.61 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[3-(3,5-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-phenylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 53022727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).