ethyl 5-benzyl-4-methyl-3-[4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]phenyl]-2-propyl-6,7-dihydroimidazo[4,5-c]pyridine-4-carboxylate

C37H43N3O4 — CID 67744280

About ethyl 5-benzyl-4-methyl-3-[4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]phenyl]-2-propyl-6,7-dihydroimidazo[4,5-c]pyridine-4-carboxylate

ethyl 5-benzyl-4-methyl-3-[4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]phenyl]-2-propyl-6,7-dihydroimidazo[4,5-c]pyridine-4-carboxylate (PubChem CID 67744280) has the molecular formula C37H43N3O4 and a molecular weight of 593.77 g/mol. Its IUPAC name is ethyl 5-benzyl-4-methyl-3-[4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]phenyl]-2-propyl-6,7-dihydroimidazo[4,5-c]pyridine-4-carboxylate.

Molecular Properties

• Compound Name: ethyl 5-benzyl-4-methyl-3-[4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]phenyl]-2-propyl-6,7-dihydroimidazo[4,5-c]pyridine-4-carboxylate
• PubChem CID: 67744280
• Molecular Formula: C37H43N3O4
• Molecular Weight: 593.77 g/mol
• Exact Mass: 593.33
• IUPAC Name: ethyl 5-benzyl-4-methyl-3-[4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]phenyl]-2-propyl-6,7-dihydroimidazo[4,5-c]pyridine-4-carboxylate
• SMILES: CCCc1nc2c(n1-c1ccc(-c3ccccc3C(=O)OC(C)(C)C)cc1)C(C)(C(=O)OCC)N(Cc1ccccc1)CC2
• InChI: InChI=1S/C37H43N3O4/c1-7-14-32-38-31-23-24-39(25-26-15-10-9-11-16-26)37(6,35(42)43-8-2)33(31)40(32)28-21-19-27(20-22-28)29-17-12-13-18-30(29)34(41)44-36(3,4)5/h9-13,15-22H,7-8,14,23-25H2,1-6H3
• InChIKey: XSPONBNRJPJCBQ-UHFFFAOYSA-N
• XLogP: 7.28
• TPSA: 73.66 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	593.77
LogP ≤ 5	7.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of ethyl 5-benzyl-4-methyl-3-[4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]phenyl]-2-propyl-6,7-dihydroimidazo[4,5-c]pyridine-4-carboxylate?

The IUPAC name of ethyl 5-benzyl-4-methyl-3-[4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]phenyl]-2-propyl-6,7-dihydroimidazo[4,5-c]pyridine-4-carboxylate (CID 67744280) is ethyl 5-benzyl-4-methyl-3-[4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]phenyl]-2-propyl-6,7-dihydroimidazo[4,5-c]pyridine-4-carboxylate.

What is the SMILES notation for ethyl 5-benzyl-4-methyl-3-[4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]phenyl]-2-propyl-6,7-dihydroimidazo[4,5-c]pyridine-4-carboxylate?

The canonical SMILES for ethyl 5-benzyl-4-methyl-3-[4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]phenyl]-2-propyl-6,7-dihydroimidazo[4,5-c]pyridine-4-carboxylate is CCCc1nc2c(n1-c1ccc(-c3ccccc3C(=O)OC(C)(C)C)cc1)C(C)(C(=O)OCC)N(Cc1ccccc1)CC2.

What is the InChIKey of ethyl 5-benzyl-4-methyl-3-[4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]phenyl]-2-propyl-6,7-dihydroimidazo[4,5-c]pyridine-4-carboxylate?

The InChIKey is XSPONBNRJPJCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H43N3O4/c1-7-14-32-38-31-23-24-39(25-26-15-10-9-11-16-26)37(6,35(42)43-8-2)33(31)40(32)28-21-19-27(20-22-28)29-17-12-13-18-30(29)34(41)44-36(3,4)5/h9-13,15-22H,7-8,14,23-25H2,1-6H3.

What are the key properties of ethyl 5-benzyl-4-methyl-3-[4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]phenyl]-2-propyl-6,7-dihydroimidazo[4,5-c]pyridine-4-carboxylate?

ethyl 5-benzyl-4-methyl-3-[4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]phenyl]-2-propyl-6,7-dihydroimidazo[4,5-c]pyridine-4-carboxylate has a molecular weight of 593.77 g/mol, XLogP of 7.28, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 5-benzyl-4-methyl-3-[4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]phenyl]-2-propyl-6,7-dihydroimidazo[4,5-c]pyridine-4-carboxylate is sourced from PubChem (CID 67744280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).