2-ethyl-5,7-dimethyl-1H-imidazo[4,5-b]pyridine;2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]ethanol;methane;methyl 2-[4-(bromomethyl)phenyl]acetate;methyl 2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]acetate

C60H74BrN9O5 — CID 160892200

About 2-ethyl-5,7-dimethyl-1H-imidazo[4,5-b]pyridine;2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]ethanol;methane;methyl 2-[4-(bromomethyl)phenyl]acetate;methyl 2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]acetate

2-ethyl-5,7-dimethyl-1H-imidazo[4,5-b]pyridine;2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]ethanol;methane;methyl 2-[4-(bromomethyl)phenyl]acetate;methyl 2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]acetate (PubChem CID 160892200) has the molecular formula C60H74BrN9O5 and a molecular weight of 1081.21 g/mol. Its IUPAC name is 2-ethyl-5,7-dimethyl-1H-imidazo[4,5-b]pyridine;2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]ethanol;methane;methyl 2-[4-(bromomethyl)phenyl]acetate;methyl 2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]acetate.

Molecular Properties

• Compound Name: 2-ethyl-5,7-dimethyl-1H-imidazo[4,5-b]pyridine;2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]ethanol;methane;methyl 2-[4-(bromomethyl)phenyl]acetate;methyl 2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]acetate
• PubChem CID: 160892200
• Molecular Formula: C60H74BrN9O5
• Molecular Weight: 1081.21 g/mol
• Exact Mass: 1079.50
• IUPAC Name: 2-ethyl-5,7-dimethyl-1H-imidazo[4,5-b]pyridine;2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]ethanol;methane;methyl 2-[4-(bromomethyl)phenyl]acetate;methyl 2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]acetate
• SMILES: C.CCc1nc2c(C)cc(C)nc2n1Cc1ccc(CC(=O)OC)cc1.CCc1nc2c(C)cc(C)nc2n1Cc1ccc(CCO)cc1.CCc1nc2nc(C)cc(C)c2[nH]1.COC(=O)Cc1ccc(CBr)cc1
• InChI: InChI=1S/C20H23N3O2.C19H23N3O.C10H11BrO2.C10H13N3.CH4/c1-5-17-22-19-13(2)10-14(3)21-20(19)23(17)12-16-8-6-15(7-9-16)11-18(24)25-4;1-4-17-21-18-13(2)11-14(3)20-19(18)22(17)12-16-7-5-15(6-8-16)9-10-23;1-13-10(12)6-8-2-4-9(7-11)5-3-8;1-4-8-12-9-6(2)5-7(3)11-10(9)13-8;/h6-10H,5,11-12H2,1-4H3;5-8,11,23H,4,9-10,12H2,1-3H3;2-5H,6-7H2,1H3;5H,4H2,1-3H3,(H,11,12,13);1H4
• InChIKey: SOKPGRPOYIYIPA-UHFFFAOYSA-N
• XLogP: 11.64
• TPSA: 175.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 14
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1081.21
LogP ≤ 5	11.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5,7-dimethyl-1H-imidazo[4,5-b]pyridine;2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]ethanol;methane;methyl 2-[4-(bromomethyl)phenyl]acetate;methyl 2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]acetate?

The IUPAC name of 2-ethyl-5,7-dimethyl-1H-imidazo[4,5-b]pyridine;2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]ethanol;methane;methyl 2-[4-(bromomethyl)phenyl]acetate;methyl 2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]acetate (CID 160892200) is 2-ethyl-5,7-dimethyl-1H-imidazo[4,5-b]pyridine;2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]ethanol;methane;methyl 2-[4-(bromomethyl)phenyl]acetate;methyl 2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]acetate.

What is the SMILES notation for 2-ethyl-5,7-dimethyl-1H-imidazo[4,5-b]pyridine;2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]ethanol;methane;methyl 2-[4-(bromomethyl)phenyl]acetate;methyl 2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]acetate?

The canonical SMILES for 2-ethyl-5,7-dimethyl-1H-imidazo[4,5-b]pyridine;2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]ethanol;methane;methyl 2-[4-(bromomethyl)phenyl]acetate;methyl 2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]acetate is C.CCc1nc2c(C)cc(C)nc2n1Cc1ccc(CC(=O)OC)cc1.CCc1nc2c(C)cc(C)nc2n1Cc1ccc(CCO)cc1.CCc1nc2nc(C)cc(C)c2[nH]1.COC(=O)Cc1ccc(CBr)cc1.

What is the InChIKey of 2-ethyl-5,7-dimethyl-1H-imidazo[4,5-b]pyridine;2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]ethanol;methane;methyl 2-[4-(bromomethyl)phenyl]acetate;methyl 2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]acetate?

The InChIKey is SOKPGRPOYIYIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2.C19H23N3O.C10H11BrO2.C10H13N3.CH4/c1-5-17-22-19-13(2)10-14(3)21-20(19)23(17)12-16-8-6-15(7-9-16)11-18(24)25-4;1-4-17-21-18-13(2)11-14(3)20-19(18)22(17)12-16-7-5-15(6-8-16)9-10-23;1-13-10(12)6-8-2-4-9(7-11)5-3-8;1-4-8-12-9-6(2)5-7(3)11-10(9)13-8;/h6-10H,5,11-12H2,1-4H3;5-8,11,23H,4,9-10,12H2,1-3H3;2-5H,6-7H2,1H3;5H,4H2,1-3H3,(H,11,12,13);1H4.

What are the key properties of 2-ethyl-5,7-dimethyl-1H-imidazo[4,5-b]pyridine;2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]ethanol;methane;methyl 2-[4-(bromomethyl)phenyl]acetate;methyl 2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]acetate?

2-ethyl-5,7-dimethyl-1H-imidazo[4,5-b]pyridine;2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]ethanol;methane;methyl 2-[4-(bromomethyl)phenyl]acetate;methyl 2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]acetate has a molecular weight of 1081.21 g/mol, XLogP of 11.64, 14 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-5,7-dimethyl-1H-imidazo[4,5-b]pyridine;2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]ethanol;methane;methyl 2-[4-(bromomethyl)phenyl]acetate;methyl 2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]acetate is sourced from PubChem (CID 160892200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).