methyl 3-[(4-methoxyphenyl)methyl]-5-(1-methylpiperidin-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate

C22H30N4O3 — CID 74443221

About methyl 3-[(4-methoxyphenyl)methyl]-5-(1-methylpiperidin-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate

methyl 3-[(4-methoxyphenyl)methyl]-5-(1-methylpiperidin-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate (PubChem CID 74443221) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is methyl 3-[(4-methoxyphenyl)methyl]-5-(1-methylpiperidin-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate.

Molecular Properties

• Compound Name: methyl 3-[(4-methoxyphenyl)methyl]-5-(1-methylpiperidin-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
• PubChem CID: 74443221
• Molecular Formula: C22H30N4O3
• Molecular Weight: 398.51 g/mol
• Exact Mass: 398.23
• IUPAC Name: methyl 3-[(4-methoxyphenyl)methyl]-5-(1-methylpiperidin-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
• SMILES: COC(=O)C1Cc2ncn(Cc3ccc(OC)cc3)c2CN1C1CCN(C)CC1
• InChI: InChI=1S/C22H30N4O3/c1-24-10-8-17(9-11-24)26-14-21-19(12-20(26)22(27)29-3)23-15-25(21)13-16-4-6-18(28-2)7-5-16/h4-7,15,17,20H,8-14H2,1-3H3
• InChIKey: RFQVBNBRSSFZBB-UHFFFAOYSA-N
• XLogP: 1.93
• TPSA: 59.83 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.51
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-methoxyphenyl)methyl]-5-(1-methylpiperidin-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate?

The IUPAC name of methyl 3-[(4-methoxyphenyl)methyl]-5-(1-methylpiperidin-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate (CID 74443221) is methyl 3-[(4-methoxyphenyl)methyl]-5-(1-methylpiperidin-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate.

What is the SMILES notation for methyl 3-[(4-methoxyphenyl)methyl]-5-(1-methylpiperidin-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate?

The canonical SMILES for methyl 3-[(4-methoxyphenyl)methyl]-5-(1-methylpiperidin-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate is COC(=O)C1Cc2ncn(Cc3ccc(OC)cc3)c2CN1C1CCN(C)CC1.

What is the InChIKey of methyl 3-[(4-methoxyphenyl)methyl]-5-(1-methylpiperidin-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate?

The InChIKey is RFQVBNBRSSFZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-24-10-8-17(9-11-24)26-14-21-19(12-20(26)22(27)29-3)23-15-25(21)13-16-4-6-18(28-2)7-5-16/h4-7,15,17,20H,8-14H2,1-3H3.

What are the key properties of methyl 3-[(4-methoxyphenyl)methyl]-5-(1-methylpiperidin-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate?

methyl 3-[(4-methoxyphenyl)methyl]-5-(1-methylpiperidin-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate has a molecular weight of 398.51 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 3-[(4-methoxyphenyl)methyl]-5-(1-methylpiperidin-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate is sourced from PubChem (CID 74443221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).