methyl 2-[[(4R)-4-(4-chlorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]acetate

C16H17ClN4O3 — CID 29132507

About methyl 2-[[(4R)-4-(4-chlorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]acetate

methyl 2-[[(4R)-4-(4-chlorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]acetate (PubChem CID 29132507) has the molecular formula C16H17ClN4O3 and a molecular weight of 348.79 g/mol. Its IUPAC name is methyl 2-[[(4R)-4-(4-chlorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]acetate.

Molecular Properties

• Compound Name: methyl 2-[[(4R)-4-(4-chlorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]acetate
• PubChem CID: 29132507
• Molecular Formula: C16H17ClN4O3
• Molecular Weight: 348.79 g/mol
• Exact Mass: 348.10
• IUPAC Name: methyl 2-[[(4R)-4-(4-chlorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]acetate
• SMILES: COC(=O)CNC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(Cl)cc1
• InChI: InChI=1S/C16H17ClN4O3/c1-24-13(22)8-18-16(23)21-7-6-12-14(20-9-19-12)15(21)10-2-4-11(17)5-3-10/h2-5,9,15H,6-8H2,1H3,(H,18,23)(H,19,20)/t15-/m1/s1
• InChIKey: XYNTYIURXZOMAF-OAHLLOKOSA-N
• XLogP: 1.89
• TPSA: 87.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.79
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(4R)-4-(4-chlorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]acetate?

The IUPAC name of methyl 2-[[(4R)-4-(4-chlorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]acetate (CID 29132507) is methyl 2-[[(4R)-4-(4-chlorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]acetate.

What is the SMILES notation for methyl 2-[[(4R)-4-(4-chlorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]acetate?

The canonical SMILES for methyl 2-[[(4R)-4-(4-chlorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]acetate is COC(=O)CNC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(Cl)cc1.

What is the InChIKey of methyl 2-[[(4R)-4-(4-chlorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]acetate?

The InChIKey is XYNTYIURXZOMAF-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H17ClN4O3/c1-24-13(22)8-18-16(23)21-7-6-12-14(20-9-19-12)15(21)10-2-4-11(17)5-3-10/h2-5,9,15H,6-8H2,1H3,(H,18,23)(H,19,20)/t15-/m1/s1.

What are the key properties of methyl 2-[[(4R)-4-(4-chlorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]acetate?

methyl 2-[[(4R)-4-(4-chlorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]acetate has a molecular weight of 348.79 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[[(4R)-4-(4-chlorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]acetate is sourced from PubChem (CID 29132507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).