methyl (6S)-5-[4-(dimethylamino)benzoyl]-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate

C20H26N4O3 — CID 26745522

About methyl (6S)-5-[4-(dimethylamino)benzoyl]-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate

methyl (6S)-5-[4-(dimethylamino)benzoyl]-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate (PubChem CID 26745522) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is methyl (6S)-5-[4-(dimethylamino)benzoyl]-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate.

Molecular Properties

• Compound Name: methyl (6S)-5-[4-(dimethylamino)benzoyl]-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
• PubChem CID: 26745522
• Molecular Formula: C20H26N4O3
• Molecular Weight: 370.45 g/mol
• Exact Mass: 370.20
• IUPAC Name: methyl (6S)-5-[4-(dimethylamino)benzoyl]-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
• SMILES: COC(=O)[C@@H]1Cc2ncn(C(C)C)c2CN1C(=O)c1ccc(N(C)C)cc1
• InChI: InChI=1S/C20H26N4O3/c1-13(2)24-12-21-16-10-17(20(26)27-5)23(11-18(16)24)19(25)14-6-8-15(9-7-14)22(3)4/h6-9,12-13,17H,10-11H2,1-5H3/t17-/m0/s1
• InChIKey: JXRLIIDVAFALJA-KRWDZBQOSA-N
• XLogP: 2.27
• TPSA: 67.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.45
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of methyl (6S)-5-[4-(dimethylamino)benzoyl]-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate (CID 26745522) is methyl (6S)-5-[4-(dimethylamino)benzoyl]-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate.

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

The canonical SMILES for methyl (6S)-5-[4-(dimethylamino)benzoyl]-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate is COC(=O)[C@@H]1Cc2ncn(C(C)C)c2CN1C(=O)c1ccc(N(C)C)cc1.

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

The InChIKey is JXRLIIDVAFALJA-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-13(2)24-12-21-16-10-17(20(26)27-5)23(11-18(16)24)19(25)14-6-8-15(9-7-14)22(3)4/h6-9,12-13,17H,10-11H2,1-5H3/t17-/m0/s1.

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

methyl (6S)-5-[4-(dimethylamino)benzoyl]-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate has a molecular weight of 370.45 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (6S)-5-[4-(dimethylamino)benzoyl]-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate is sourced from PubChem (CID 26745522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).