methyl 2-[6-(3,6-dimethylimidazo[4,5-b]pyridin-2-yl)-5-methyl-3-pyridinyl]acetate;methyl 1-[6-(3,6-dimethylimidazo[4,5-b]pyridin-2-yl)-5-methyl-3-pyridinyl]cyclopropane-1-carboxylate

C36H38N8O4 — CID 158987917

About methyl 2-[6-(3,6-dimethylimidazo[4,5-b]pyridin-2-yl)-5-methyl-3-pyridinyl]acetate;methyl 1-[6-(3,6-dimethylimidazo[4,5-b]pyridin-2-yl)-5-methyl-3-pyridinyl]cyclopropane-1-carboxylate

methyl 2-[6-(3,6-dimethylimidazo[4,5-b]pyridin-2-yl)-5-methyl-3-pyridinyl]acetate;methyl 1-[6-(3,6-dimethylimidazo[4,5-b]pyridin-2-yl)-5-methyl-3-pyridinyl]cyclopropane-1-carboxylate (PubChem CID 158987917) has the molecular formula C36H38N8O4 and a molecular weight of 646.75 g/mol. Its IUPAC name is methyl 2-[6-(3,6-dimethylimidazo[4,5-b]pyridin-2-yl)-5-methyl-3-pyridinyl]acetate;methyl 1-[6-(3,6-dimethylimidazo[4,5-b]pyridin-2-yl)-5-methyl-3-pyridinyl]cyclopropane-1-carboxylate.

Molecular Properties

• Compound Name: methyl 2-[6-(3,6-dimethylimidazo[4,5-b]pyridin-2-yl)-5-methyl-3-pyridinyl]acetate;methyl 1-[6-(3,6-dimethylimidazo[4,5-b]pyridin-2-yl)-5-methyl-3-pyridinyl]cyclopropane-1-carboxylate
• PubChem CID: 158987917
• Molecular Formula: C36H38N8O4
• Molecular Weight: 646.75 g/mol
• Exact Mass: 646.30
• IUPAC Name: methyl 2-[6-(3,6-dimethylimidazo[4,5-b]pyridin-2-yl)-5-methyl-3-pyridinyl]acetate;methyl 1-[6-(3,6-dimethylimidazo[4,5-b]pyridin-2-yl)-5-methyl-3-pyridinyl]cyclopropane-1-carboxylate
• SMILES: COC(=O)C1(c2cnc(-c3nc4cc(C)cnc4n3C)c(C)c2)CC1.COC(=O)Cc1cnc(-c2nc3cc(C)cnc3n2C)c(C)c1
• InChI: InChI=1S/C19H20N4O2.C17H18N4O2/c1-11-7-14-16(21-9-11)23(3)17(22-14)15-12(2)8-13(10-20-15)19(5-6-19)18(24)25-4;1-10-5-13-16(19-8-10)21(3)17(20-13)15-11(2)6-12(9-18-15)7-14(22)23-4/h7-10H,5-6H2,1-4H3;5-6,8-9H,7H2,1-4H3
• InChIKey: JPULIEIQKIKTRH-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 139.80 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	646.75
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-(3,6-dimethylimidazo[4,5-b]pyridin-2-yl)-5-methyl-3-pyridinyl]acetate;methyl 1-[6-(3,6-dimethylimidazo[4,5-b]pyridin-2-yl)-5-methyl-3-pyridinyl]cyclopropane-1-carboxylate?

The IUPAC name of methyl 2-[6-(3,6-dimethylimidazo[4,5-b]pyridin-2-yl)-5-methyl-3-pyridinyl]acetate;methyl 1-[6-(3,6-dimethylimidazo[4,5-b]pyridin-2-yl)-5-methyl-3-pyridinyl]cyclopropane-1-carboxylate (CID 158987917) is methyl 2-[6-(3,6-dimethylimidazo[4,5-b]pyridin-2-yl)-5-methyl-3-pyridinyl]acetate;methyl 1-[6-(3,6-dimethylimidazo[4,5-b]pyridin-2-yl)-5-methyl-3-pyridinyl]cyclopropane-1-carboxylate.

What is the SMILES notation for methyl 2-[6-(3,6-dimethylimidazo[4,5-b]pyridin-2-yl)-5-methyl-3-pyridinyl]acetate;methyl 1-[6-(3,6-dimethylimidazo[4,5-b]pyridin-2-yl)-5-methyl-3-pyridinyl]cyclopropane-1-carboxylate?

The canonical SMILES for methyl 2-[6-(3,6-dimethylimidazo[4,5-b]pyridin-2-yl)-5-methyl-3-pyridinyl]acetate;methyl 1-[6-(3,6-dimethylimidazo[4,5-b]pyridin-2-yl)-5-methyl-3-pyridinyl]cyclopropane-1-carboxylate is COC(=O)C1(c2cnc(-c3nc4cc(C)cnc4n3C)c(C)c2)CC1.COC(=O)Cc1cnc(-c2nc3cc(C)cnc3n2C)c(C)c1.

What is the InChIKey of methyl 2-[6-(3,6-dimethylimidazo[4,5-b]pyridin-2-yl)-5-methyl-3-pyridinyl]acetate;methyl 1-[6-(3,6-dimethylimidazo[4,5-b]pyridin-2-yl)-5-methyl-3-pyridinyl]cyclopropane-1-carboxylate?

The InChIKey is JPULIEIQKIKTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2.C17H18N4O2/c1-11-7-14-16(21-9-11)23(3)17(22-14)15-12(2)8-13(10-20-15)19(5-6-19)18(24)25-4;1-10-5-13-16(19-8-10)21(3)17(20-13)15-11(2)6-12(9-18-15)7-14(22)23-4/h7-10H,5-6H2,1-4H3;5-6,8-9H,7H2,1-4H3.

What are the key properties of methyl 2-[6-(3,6-dimethylimidazo[4,5-b]pyridin-2-yl)-5-methyl-3-pyridinyl]acetate;methyl 1-[6-(3,6-dimethylimidazo[4,5-b]pyridin-2-yl)-5-methyl-3-pyridinyl]cyclopropane-1-carboxylate?

methyl 2-[6-(3,6-dimethylimidazo[4,5-b]pyridin-2-yl)-5-methyl-3-pyridinyl]acetate;methyl 1-[6-(3,6-dimethylimidazo[4,5-b]pyridin-2-yl)-5-methyl-3-pyridinyl]cyclopropane-1-carboxylate has a molecular weight of 646.75 g/mol, XLogP of 5.21, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[6-(3,6-dimethylimidazo[4,5-b]pyridin-2-yl)-5-methyl-3-pyridinyl]acetate;methyl 1-[6-(3,6-dimethylimidazo[4,5-b]pyridin-2-yl)-5-methyl-3-pyridinyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 158987917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).