6-chloro-1-(2,2-dimethylpropyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-ethylbutyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-methylpropyl)-3H-imidazo[4,5-b]pyridin-2-one;6-ethyl-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-methylsulfanyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one

C82H107Cl3FN21O7S — CID 159842617

IUPAC6-chloro-1-(2,2-dimethylpropyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-ethylbutyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-methylpropyl)-3H-imidazo[4,5-b]pyridin-2-one;6-ethyl-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-methylsulfanyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one
SMILESC#Cc1cnc2[nH]c(=O)n(C(CC)CC)c2c1.CC(C)(C)Cn1c(=O)[nH]c2ncc(Cl)cc21.CC(C)Cn1c(=O)[nH]c2ncc(Cl)cc21.CCC(CC)Cn1c(=O)[nH]c2ncc(Cl)cc21.CCC(CC)n1c(=O)[nH]c2ncc(F)cc21.CCC(CC)n1c(=O)[nH]c2ncc(SC)cc21.CCc1cnc2[nH]c(=O)n(C(CC)CC)c2c1
InChIInChI=1S/C13H19N3O.C13H15N3O.C12H16ClN3O.C12H17N3OS.C11H14ClN3O.C11H14FN3O.C10H12ClN3O/c2*1-4-9-7-11-12(14-8-9)15-13(17)16(11)10(5-2)6-3;1-3-8(4-2)7-16-10-5-9(13)6-14-11(10)15-12(16)17;1-4-8(5-2)15-10-6-9(17-3)7-13-11(10)14-12(15)16;1-11(2,3)6-15-8-4-7(12)5-13-9(8)14-10(15)16;1-3-8(4-2)15-9-5-7(12)6-13-10(9)14-11(15)16;1-6(2)5-14-8-3-7(11)4-12-9(8)13-10(14)15/h7-8,10H,4-6H2,1-3H3,(H,14,15,17);1,7-8,10H,5-6H2,2-3H3,(H,14,15,17);5-6,8H,3-4,7H2,1-2H3,(H,14,15,17);6-8H,4-5H2,1-3H3,(H,13,14,16);4-5H,6H2,1-3H3,(H,13,14,16);5-6,8H,3-4H2,1-2H3,(H,13,14,16);3-4,6H,5H2,1-2H3,(H,12,13,15)
InChIKeyNOWIMTVZTSIPQT-UHFFFAOYSA-N
MW1656.32 g/mol
LogP17.02
Rot. Bonds21

About 6-chloro-1-(2,2-dimethylpropyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-ethylbutyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-methylpropyl)-3H-imidazo[4,5-b]pyridin-2-one;6-ethyl-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-methylsulfanyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one

6-chloro-1-(2,2-dimethylpropyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-ethylbutyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-methylpropyl)-3H-imidazo[4,5-b]pyridin-2-one;6-ethyl-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-methylsulfanyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 159842617) has the molecular formula C82H107Cl3FN21O7S and a molecular weight of 1656.32 g/mol. Its IUPAC name is 6-chloro-1-(2,2-dimethylpropyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-ethylbutyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-methylpropyl)-3H-imidazo[4,5-b]pyridin-2-one;6-ethyl-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-methylsulfanyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-chloro-1-(2,2-dimethylpropyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-ethylbutyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-methylpropyl)-3H-imidazo[4,5-b]pyridin-2-one;6-ethyl-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-methylsulfanyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID159842617
Molecular FormulaC82H107Cl3FN21O7S
Molecular Weight1656.32 g/mol
Exact Mass1653.74
IUPAC Name6-chloro-1-(2,2-dimethylpropyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-ethylbutyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-methylpropyl)-3H-imidazo[4,5-b]pyridin-2-one;6-ethyl-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-methylsulfanyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one
SMILESC#Cc1cnc2[nH]c(=O)n(C(CC)CC)c2c1.CC(C)(C)Cn1c(=O)[nH]c2ncc(Cl)cc21.CC(C)Cn1c(=O)[nH]c2ncc(Cl)cc21.CCC(CC)Cn1c(=O)[nH]c2ncc(Cl)cc21.CCC(CC)n1c(=O)[nH]c2ncc(F)cc21.CCC(CC)n1c(=O)[nH]c2ncc(SC)cc21.CCc1cnc2[nH]c(=O)n(C(CC)CC)c2c1
InChIInChI=1S/C13H19N3O.C13H15N3O.C12H16ClN3O.C12H17N3OS.C11H14ClN3O.C11H14FN3O.C10H12ClN3O/c2*1-4-9-7-11-12(14-8-9)15-13(17)16(11)10(5-2)6-3;1-3-8(4-2)7-16-10-5-9(13)6-14-11(10)15-12(16)17;1-4-8(5-2)15-10-6-9(17-3)7-13-11(10)14-12(15)16;1-11(2,3)6-15-8-4-7(12)5-13-9(8)14-10(15)16;1-3-8(4-2)15-9-5-7(12)6-13-10(9)14-11(15)16;1-6(2)5-14-8-3-7(11)4-12-9(8)13-10(14)15/h7-8,10H,4-6H2,1-3H3,(H,14,15,17);1,7-8,10H,5-6H2,2-3H3,(H,14,15,17);5-6,8H,3-4,7H2,1-2H3,(H,14,15,17);6-8H,4-5H2,1-3H3,(H,13,14,16);4-5H,6H2,1-3H3,(H,13,14,16);5-6,8H,3-4H2,1-2H3,(H,13,14,16);3-4,6H,5H2,1-2H3,(H,12,13,15)
InChIKeyNOWIMTVZTSIPQT-UHFFFAOYSA-N
XLogP17.02
TPSA354.76 Ų
H-Bond Donors7
H-Bond Acceptors22
Rotatable Bonds21
Heavy Atoms115
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001656.32
LogP ≤ 517.02
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 6-chloro-1-(2,2-dimethylpropyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-ethylbutyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-methylpropyl)-3H-imidazo[4,5-b]pyridin-2-one;6-ethyl-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-methylsulfanyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one with MolForge

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Related Compounds

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
6-chloro-1-(cyclohexylmethyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1-propan-2-ylpiperidin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1-pyridin-3-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1-pyridin-4-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-pyridin-2-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one
CID 159463402
6-chloro-3-(2,2-dimethylpropyl)-1H-imidazo[4,5-b]pyridin-2-one;6-chloro-3-(2-ethylbutyl)-1H-imidazo[4,5-b]pyridin-2-one;6-chloro-3-(2-methylpropyl)-1H-imidazo[4,5-b]pyridin-2-one;5-chloro-3-pentan-3-yl-1H-imidazo[4,5-b]pyridin-2-one;6-fluoro-3-pentan-3-yl-1H-imidazo[4,5-b]pyridin-2-one;5-methyl-3-pentan-3-yl-1H-imidazo[4,5-b]pyridin-2-one;3-pentan-3-yl-5-[(Z)-prop-1-enyl]-1H-imidazo[4,5-b]pyridin-2-one
CID 159707543
6-chloro-2-(difluoromethyl)-1-pentan-3-ylimidazo[4,5-b]pyridine;6-chloro-1-(2,2-dimethylpropyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-ethylbutyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-methyl-1-(2-morpholin-4-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-methylpropyl)-3H-imidazo[4,5-b]pyridin-2-one;6-ethenyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-ethyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-methylsulfanyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one
CID 161582454

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(2,2-dimethylpropyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-ethylbutyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-methylpropyl)-3H-imidazo[4,5-b]pyridin-2-one;6-ethyl-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-methylsulfanyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-chloro-1-(2,2-dimethylpropyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-ethylbutyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-methylpropyl)-3H-imidazo[4,5-b]pyridin-2-one;6-ethyl-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-methylsulfanyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one (CID 159842617) is 6-chloro-1-(2,2-dimethylpropyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-ethylbutyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-methylpropyl)-3H-imidazo[4,5-b]pyridin-2-one;6-ethyl-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-methylsulfanyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-chloro-1-(2,2-dimethylpropyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-ethylbutyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-methylpropyl)-3H-imidazo[4,5-b]pyridin-2-one;6-ethyl-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-methylsulfanyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-chloro-1-(2,2-dimethylpropyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-ethylbutyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-methylpropyl)-3H-imidazo[4,5-b]pyridin-2-one;6-ethyl-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-methylsulfanyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one is C#Cc1cnc2[nH]c(=O)n(C(CC)CC)c2c1.CC(C)(C)Cn1c(=O)[nH]c2ncc(Cl)cc21.CC(C)Cn1c(=O)[nH]c2ncc(Cl)cc21.CCC(CC)Cn1c(=O)[nH]c2ncc(Cl)cc21.CCC(CC)n1c(=O)[nH]c2ncc(F)cc21.CCC(CC)n1c(=O)[nH]c2ncc(SC)cc21.CCc1cnc2[nH]c(=O)n(C(CC)CC)c2c1.
What is the InChIKey of 6-chloro-1-(2,2-dimethylpropyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-ethylbutyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-methylpropyl)-3H-imidazo[4,5-b]pyridin-2-one;6-ethyl-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-methylsulfanyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is NOWIMTVZTSIPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O.C13H15N3O.C12H16ClN3O.C12H17N3OS.C11H14ClN3O.C11H14FN3O.C10H12ClN3O/c2*1-4-9-7-11-12(14-8-9)15-13(17)16(11)10(5-2)6-3;1-3-8(4-2)7-16-10-5-9(13)6-14-11(10)15-12(16)17;1-4-8(5-2)15-10-6-9(17-3)7-13-11(10)14-12(15)16;1-11(2,3)6-15-8-4-7(12)5-13-9(8)14-10(15)16;1-3-8(4-2)15-9-5-7(12)6-13-10(9)14-11(15)16;1-6(2)5-14-8-3-7(11)4-12-9(8)13-10(14)15/h7-8,10H,4-6H2,1-3H3,(H,14,15,17);1,7-8,10H,5-6H2,2-3H3,(H,14,15,17);5-6,8H,3-4,7H2,1-2H3,(H,14,15,17);6-8H,4-5H2,1-3H3,(H,13,14,16);4-5H,6H2,1-3H3,(H,13,14,16);5-6,8H,3-4H2,1-2H3,(H,13,14,16);3-4,6H,5H2,1-2H3,(H,12,13,15).
What are the key properties of 6-chloro-1-(2,2-dimethylpropyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-ethylbutyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-methylpropyl)-3H-imidazo[4,5-b]pyridin-2-one;6-ethyl-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-methylsulfanyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one?
6-chloro-1-(2,2-dimethylpropyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-ethylbutyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-methylpropyl)-3H-imidazo[4,5-b]pyridin-2-one;6-ethyl-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-methylsulfanyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 1656.32 g/mol, XLogP of 17.02, 21 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(2,2-dimethylpropyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-ethylbutyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-methylpropyl)-3H-imidazo[4,5-b]pyridin-2-one;6-ethyl-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-methylsulfanyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 159842617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).