methyl 5-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyridine-3-carboxylate

C21H20N4O4 — CID 164695539

About methyl 5-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyridine-3-carboxylate

methyl 5-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyridine-3-carboxylate (PubChem CID 164695539) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is methyl 5-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyridine-3-carboxylate.

Molecular Properties

• Compound Name: methyl 5-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyridine-3-carboxylate
• PubChem CID: 164695539
• Molecular Formula: C21H20N4O4
• Molecular Weight: 392.42 g/mol
• Exact Mass: 392.15
• IUPAC Name: methyl 5-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyridine-3-carboxylate
• SMILES: COC(=O)c1cncc(C(=O)N2Cc3[nH]cnc3C(c3ccc(OC)cc3)C2)c1
• InChI: InChI=1S/C21H20N4O4/c1-28-16-5-3-13(4-6-16)17-10-25(11-18-19(17)24-12-23-18)20(26)14-7-15(9-22-8-14)21(27)29-2/h3-9,12,17H,10-11H2,1-2H3,(H,23,24)
• InChIKey: LIJGQTNMDSZMFX-UHFFFAOYSA-N
• XLogP: 2.39
• TPSA: 97.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.42
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of methyl 5-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyridine-3-carboxylate?

The IUPAC name of methyl 5-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyridine-3-carboxylate (CID 164695539) is methyl 5-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyridine-3-carboxylate.

What is the SMILES notation for methyl 5-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyridine-3-carboxylate?

The canonical SMILES for methyl 5-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyridine-3-carboxylate is COC(=O)c1cncc(C(=O)N2Cc3[nH]cnc3C(c3ccc(OC)cc3)C2)c1.

What is the InChIKey of methyl 5-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyridine-3-carboxylate?

The InChIKey is LIJGQTNMDSZMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4/c1-28-16-5-3-13(4-6-16)17-10-25(11-18-19(17)24-12-23-18)20(26)14-7-15(9-22-8-14)21(27)29-2/h3-9,12,17H,10-11H2,1-2H3,(H,23,24).

What are the key properties of methyl 5-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyridine-3-carboxylate?

methyl 5-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyridine-3-carboxylate has a molecular weight of 392.42 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 5-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyridine-3-carboxylate is sourced from PubChem (CID 164695539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).