6-chloro-1-methylimidazo[4,5-c]pyridine;ethyl 4-[ethyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]benzoate;ethyl 4-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]benzoate;[4-[ethyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]methanol

C57H60ClN15O5 — CID 157306228

About 6-chloro-1-methylimidazo[4,5-c]pyridine;ethyl 4-[ethyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]benzoate;ethyl 4-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]benzoate;[4-[ethyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]methanol

6-chloro-1-methylimidazo[4,5-c]pyridine;ethyl 4-[ethyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]benzoate;ethyl 4-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]benzoate;[4-[ethyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]methanol (PubChem CID 157306228) has the molecular formula C57H60ClN15O5 and a molecular weight of 1070.66 g/mol. Its IUPAC name is 6-chloro-1-methylimidazo[4,5-c]pyridine;ethyl 4-[ethyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]benzoate;ethyl 4-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]benzoate;[4-[ethyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]methanol.

Molecular Properties

• Compound Name: 6-chloro-1-methylimidazo[4,5-c]pyridine;ethyl 4-[ethyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]benzoate;ethyl 4-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]benzoate;[4-[ethyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]methanol
• PubChem CID: 157306228
• Molecular Formula: C57H60ClN15O5
• Molecular Weight: 1070.66 g/mol
• Exact Mass: 1069.46
• IUPAC Name: 6-chloro-1-methylimidazo[4,5-c]pyridine;ethyl 4-[ethyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]benzoate;ethyl 4-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]benzoate;[4-[ethyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]methanol
• SMILES: CCN(c1ccc(CO)cc1)c1cc2c(cn1)ncn2C.CCOC(=O)c1ccc(N(CC)c2cc3c(cn2)ncn3C)cc1.CCOC(=O)c1ccc(Nc2cc3c(cn2)ncn3C)cc1.Cn1cnc2cnc(Cl)cc21
• InChI: InChI=1S/C18H20N4O2.C16H16N4O2.C16H18N4O.C7H6ClN3/c1-4-22(14-8-6-13(7-9-14)18(23)24-5-2)17-10-16-15(11-19-17)20-12-21(16)3;1-3-22-16(21)11-4-6-12(7-5-11)19-15-8-14-13(9-17-15)18-10-20(14)2;1-3-20(13-6-4-12(10-21)5-7-13)16-8-15-14(9-17-16)18-11-19(15)2;1-11-4-10-5-3-9-7(8)2-6(5)11/h6-12H,4-5H2,1-3H3;4-10H,3H2,1-2H3,(H,17,19);4-9,11,21H,3,10H2,1-2H3;2-4H,1H3
• InChIKey: BCMUTGBUBHHPPM-UHFFFAOYSA-N
• XLogP: 10.43
• TPSA: 214.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 13
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1070.66
LogP ≤ 5	10.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-methylimidazo[4,5-c]pyridine;ethyl 4-[ethyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]benzoate;ethyl 4-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]benzoate;[4-[ethyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]methanol?

The IUPAC name of 6-chloro-1-methylimidazo[4,5-c]pyridine;ethyl 4-[ethyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]benzoate;ethyl 4-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]benzoate;[4-[ethyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]methanol (CID 157306228) is 6-chloro-1-methylimidazo[4,5-c]pyridine;ethyl 4-[ethyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]benzoate;ethyl 4-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]benzoate;[4-[ethyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]methanol.

What is the SMILES notation for 6-chloro-1-methylimidazo[4,5-c]pyridine;ethyl 4-[ethyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]benzoate;ethyl 4-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]benzoate;[4-[ethyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]methanol?

The canonical SMILES for 6-chloro-1-methylimidazo[4,5-c]pyridine;ethyl 4-[ethyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]benzoate;ethyl 4-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]benzoate;[4-[ethyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]methanol is CCN(c1ccc(CO)cc1)c1cc2c(cn1)ncn2C.CCOC(=O)c1ccc(N(CC)c2cc3c(cn2)ncn3C)cc1.CCOC(=O)c1ccc(Nc2cc3c(cn2)ncn3C)cc1.Cn1cnc2cnc(Cl)cc21.

What is the InChIKey of 6-chloro-1-methylimidazo[4,5-c]pyridine;ethyl 4-[ethyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]benzoate;ethyl 4-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]benzoate;[4-[ethyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]methanol?

The InChIKey is BCMUTGBUBHHPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2.C16H16N4O2.C16H18N4O.C7H6ClN3/c1-4-22(14-8-6-13(7-9-14)18(23)24-5-2)17-10-16-15(11-19-17)20-12-21(16)3;1-3-22-16(21)11-4-6-12(7-5-11)19-15-8-14-13(9-17-15)18-10-20(14)2;1-3-20(13-6-4-12(10-21)5-7-13)16-8-15-14(9-17-16)18-11-19(15)2;1-11-4-10-5-3-9-7(8)2-6(5)11/h6-12H,4-5H2,1-3H3;4-10H,3H2,1-2H3,(H,17,19);4-9,11,21H,3,10H2,1-2H3;2-4H,1H3.

What are the key properties of 6-chloro-1-methylimidazo[4,5-c]pyridine;ethyl 4-[ethyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]benzoate;ethyl 4-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]benzoate;[4-[ethyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]methanol?

6-chloro-1-methylimidazo[4,5-c]pyridine;ethyl 4-[ethyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]benzoate;ethyl 4-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]benzoate;[4-[ethyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]methanol has a molecular weight of 1070.66 g/mol, XLogP of 10.43, 13 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-1-methylimidazo[4,5-c]pyridine;ethyl 4-[ethyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]benzoate;ethyl 4-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]benzoate;[4-[ethyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]methanol is sourced from PubChem (CID 157306228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).