methyl (6S)-5-(2-methoxyacetyl)-3-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate

C19H23N3O5 — CID 26745461

About methyl (6S)-5-(2-methoxyacetyl)-3-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate

methyl (6S)-5-(2-methoxyacetyl)-3-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate (PubChem CID 26745461) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is methyl (6S)-5-(2-methoxyacetyl)-3-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate.

Molecular Properties

• Compound Name: methyl (6S)-5-(2-methoxyacetyl)-3-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
• PubChem CID: 26745461
• Molecular Formula: C19H23N3O5
• Molecular Weight: 373.41 g/mol
• Exact Mass: 373.16
• IUPAC Name: methyl (6S)-5-(2-methoxyacetyl)-3-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
• SMILES: COCC(=O)N1Cc2c(ncn2Cc2ccc(OC)cc2)C[C@H]1C(=O)OC
• InChI: InChI=1S/C19H23N3O5/c1-25-11-18(23)22-10-17-15(8-16(22)19(24)27-3)20-12-21(17)9-13-4-6-14(26-2)7-5-13/h4-7,12,16H,8-11H2,1-3H3/t16-/m0/s1
• InChIKey: OQQGDLHSCJKHGA-INIZCTEOSA-N
• XLogP: 1.01
• TPSA: 82.89 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.41
LogP ≤ 5	1.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of methyl (6S)-5-(2-methoxyacetyl)-3-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate?

The IUPAC name of methyl (6S)-5-(2-methoxyacetyl)-3-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate (CID 26745461) is methyl (6S)-5-(2-methoxyacetyl)-3-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate.

What is the SMILES notation for methyl (6S)-5-(2-methoxyacetyl)-3-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate?

The canonical SMILES for methyl (6S)-5-(2-methoxyacetyl)-3-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate is COCC(=O)N1Cc2c(ncn2Cc2ccc(OC)cc2)C[C@H]1C(=O)OC.

What is the InChIKey of methyl (6S)-5-(2-methoxyacetyl)-3-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate?

The InChIKey is OQQGDLHSCJKHGA-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-25-11-18(23)22-10-17-15(8-16(22)19(24)27-3)20-12-21(17)9-13-4-6-14(26-2)7-5-13/h4-7,12,16H,8-11H2,1-3H3/t16-/m0/s1.

What are the key properties of methyl (6S)-5-(2-methoxyacetyl)-3-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate?

methyl (6S)-5-(2-methoxyacetyl)-3-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate has a molecular weight of 373.41 g/mol, XLogP of 1.01, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (6S)-5-(2-methoxyacetyl)-3-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate is sourced from PubChem (CID 26745461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).