6-bromo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;5,6-dimethyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-ethynyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-fluoro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-methyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;1-pentan-3-yl-6-(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-2-one

C94H122BrClF4N24O8 — CID 158289974

About 6-bromo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;5,6-dimethyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-ethynyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-fluoro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-methyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;1-pentan-3-yl-6-(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-2-one

6-bromo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;5,6-dimethyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-ethynyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-fluoro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-methyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;1-pentan-3-yl-6-(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 158289974) has the molecular formula C94H122BrClF4N24O8 and a molecular weight of 1907.52 g/mol. Its IUPAC name is 6-bromo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;5,6-dimethyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-ethynyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-fluoro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-methyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;1-pentan-3-yl-6-(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

• Compound Name: 6-bromo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;5,6-dimethyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-ethynyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-fluoro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-methyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;1-pentan-3-yl-6-(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-2-one
• PubChem CID: 158289974
• Molecular Formula: C94H122BrClF4N24O8
• Molecular Weight: 1907.52 g/mol
• Exact Mass: 1904.87
• IUPAC Name: 6-bromo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;5,6-dimethyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-ethynyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-fluoro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-methyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;1-pentan-3-yl-6-(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-2-one
• SMILES: C#Cc1cnc2[nH]c(=O)n(C(CC)CC)c2c1.CCC(CC)n1c(=O)[nH]c2nc(C)c(C)cc21.CCC(CC)n1c(=O)[nH]c2ncc(Br)cc21.CCC(CC)n1c(=O)[nH]c2ncc(C(F)(F)F)cc21.CCC(CC)n1c(=O)[nH]c2ncc(C)cc21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)cc21.CCC(CC)n1c(=O)[nH]c2ncc(F)cc21.CCC(CC)n1c(=O)[nH]c2ncccc21
• InChI: InChI=1S/C13H19N3O.C13H15N3O.C12H14F3N3O.C12H17N3O.C11H14BrN3O.C11H14ClN3O.C11H14FN3O.C11H15N3O/c1-5-10(6-2)16-11-7-8(3)9(4)14-12(11)15-13(16)17;1-4-9-7-11-12(14-8-9)15-13(17)16(11)10(5-2)6-3;1-3-8(4-2)18-9-5-7(12(13,14)15)6-16-10(9)17-11(18)19;1-4-9(5-2)15-10-6-8(3)7-13-11(10)14-12(15)16;3*1-3-8(4-2)15-9-5-7(12)6-13-10(9)14-11(15)16;1-3-8(4-2)14-9-6-5-7-12-10(9)13-11(14)15/h7,10H,5-6H2,1-4H3,(H,14,15,17);1,7-8,10H,5-6H2,2-3H3,(H,14,15,17);5-6,8H,3-4H2,1-2H3,(H,16,17,19);6-7,9H,4-5H2,1-3H3,(H,13,14,16);3*5-6,8H,3-4H2,1-2H3,(H,13,14,16);5-8H,3-4H2,1-2H3,(H,12,13,15)
• InChIKey: GLFSOYRNLUGIKT-UHFFFAOYSA-N
• XLogP: 20.17
• TPSA: 405.44 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 24
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1907.52
LogP ≤ 5	20.17
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;5,6-dimethyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-ethynyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-fluoro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-methyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;1-pentan-3-yl-6-(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-2-one?

The IUPAC name of 6-bromo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;5,6-dimethyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-ethynyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-fluoro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-methyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;1-pentan-3-yl-6-(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-2-one (CID 158289974) is 6-bromo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;5,6-dimethyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-ethynyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-fluoro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-methyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;1-pentan-3-yl-6-(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-2-one.

What is the SMILES notation for 6-bromo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;5,6-dimethyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-ethynyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-fluoro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-methyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;1-pentan-3-yl-6-(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-2-one?

The canonical SMILES for 6-bromo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;5,6-dimethyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-ethynyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-fluoro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-methyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;1-pentan-3-yl-6-(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-2-one is C#Cc1cnc2[nH]c(=O)n(C(CC)CC)c2c1.CCC(CC)n1c(=O)[nH]c2nc(C)c(C)cc21.CCC(CC)n1c(=O)[nH]c2ncc(Br)cc21.CCC(CC)n1c(=O)[nH]c2ncc(C(F)(F)F)cc21.CCC(CC)n1c(=O)[nH]c2ncc(C)cc21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)cc21.CCC(CC)n1c(=O)[nH]c2ncc(F)cc21.CCC(CC)n1c(=O)[nH]c2ncccc21.

What is the InChIKey of 6-bromo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;5,6-dimethyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-ethynyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-fluoro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-methyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;1-pentan-3-yl-6-(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-2-one?

The InChIKey is GLFSOYRNLUGIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O.C13H15N3O.C12H14F3N3O.C12H17N3O.C11H14BrN3O.C11H14ClN3O.C11H14FN3O.C11H15N3O/c1-5-10(6-2)16-11-7-8(3)9(4)14-12(11)15-13(16)17;1-4-9-7-11-12(14-8-9)15-13(17)16(11)10(5-2)6-3;1-3-8(4-2)18-9-5-7(12(13,14)15)6-16-10(9)17-11(18)19;1-4-9(5-2)15-10-6-8(3)7-13-11(10)14-12(15)16;3*1-3-8(4-2)15-9-5-7(12)6-13-10(9)14-11(15)16;1-3-8(4-2)14-9-6-5-7-12-10(9)13-11(14)15/h7,10H,5-6H2,1-4H3,(H,14,15,17);1,7-8,10H,5-6H2,2-3H3,(H,14,15,17);5-6,8H,3-4H2,1-2H3,(H,16,17,19);6-7,9H,4-5H2,1-3H3,(H,13,14,16);3*5-6,8H,3-4H2,1-2H3,(H,13,14,16);5-8H,3-4H2,1-2H3,(H,12,13,15).

What are the key properties of 6-bromo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;5,6-dimethyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-ethynyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-fluoro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-methyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;1-pentan-3-yl-6-(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-2-one?

6-bromo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;5,6-dimethyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-ethynyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-fluoro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-methyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;1-pentan-3-yl-6-(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 1907.52 g/mol, XLogP of 20.17, 24 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;5,6-dimethyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-ethynyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-fluoro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-methyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;1-pentan-3-yl-6-(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 158289974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).