6-chloro-7-[4-(hydroxymethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[4-(2-hydroxypropan-2-yl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;2-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzoic acid;3-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzoic acid;methyl 3-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzoate

C93H100Cl5N15O13 — CID 158474971

IUPAC6-chloro-7-[4-(hydroxymethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[4-(2-hydroxypropan-2-yl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;2-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzoic acid;3-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzoic acid;methyl 3-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzoate
SMILESCCC(CC)n1c(=O)[nH]c2ncc(Cl)c(-c3ccc(C(C)(C)O)cc3)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(-c3ccc(CO)cc3)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(-c3cccc(C(=O)O)c3)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(-c3cccc(C(=O)OC)c3)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(-c3ccccc3C(=O)O)c21
InChIInChI=1S/C20H24ClN3O2.C19H20ClN3O3.2C18H18ClN3O3.C18H20ClN3O2/c1-5-14(6-2)24-17-16(15(21)11-22-18(17)23-19(24)25)12-7-9-13(10-8-12)20(3,4)26;1-4-13(5-2)23-16-15(14(20)10-21-17(16)22-19(23)25)11-7-6-8-12(9-11)18(24)26-3;1-3-12(4-2)22-15-14(10-6-5-7-11(8-10)17(23)24)13(19)9-20-16(15)21-18(22)25;1-3-10(4-2)22-15-14(11-7-5-6-8-12(11)17(23)24)13(19)9-20-16(15)21-18(22)25;1-3-13(4-2)22-16-15(12-7-5-11(10-23)6-8-12)14(19)9-20-17(16)21-18(22)24/h7-11,14,26H,5-6H2,1-4H3,(H,22,23,25);6-10,13H,4-5H2,1-3H3,(H,21,22,25);5-9,12H,3-4H2,1-2H3,(H,23,24)(H,20,21,25);5-10H,3-4H2,1-2H3,(H,23,24)(H,20,21,25);5-9,13,23H,3-4,10H2,1-2H3,(H,20,21,24)
InChIKeyHGUYKXZDCWUGCR-UHFFFAOYSA-N
MW1813.18 g/mol
LogP20.93
Rot. Bonds25

About 6-chloro-7-[4-(hydroxymethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[4-(2-hydroxypropan-2-yl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;2-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzoic acid;3-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzoic acid;methyl 3-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzoate

6-chloro-7-[4-(hydroxymethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[4-(2-hydroxypropan-2-yl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;2-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzoic acid;3-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzoic acid;methyl 3-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzoate (PubChem CID 158474971) has the molecular formula C93H100Cl5N15O13 and a molecular weight of 1813.18 g/mol. Its IUPAC name is 6-chloro-7-[4-(hydroxymethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[4-(2-hydroxypropan-2-yl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;2-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzoic acid;3-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzoic acid;methyl 3-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzoate.

Molecular Properties

Compound Name6-chloro-7-[4-(hydroxymethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[4-(2-hydroxypropan-2-yl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;2-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzoic acid;3-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzoic acid;methyl 3-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzoate
PubChem CID158474971
Molecular FormulaC93H100Cl5N15O13
Molecular Weight1813.18 g/mol
Exact Mass1809.61
IUPAC Name6-chloro-7-[4-(hydroxymethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[4-(2-hydroxypropan-2-yl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;2-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzoic acid;3-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzoic acid;methyl 3-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzoate
SMILESCCC(CC)n1c(=O)[nH]c2ncc(Cl)c(-c3ccc(C(C)(C)O)cc3)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(-c3ccc(CO)cc3)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(-c3cccc(C(=O)O)c3)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(-c3cccc(C(=O)OC)c3)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(-c3ccccc3C(=O)O)c21
InChIInChI=1S/C20H24ClN3O2.C19H20ClN3O3.2C18H18ClN3O3.C18H20ClN3O2/c1-5-14(6-2)24-17-16(15(21)11-22-18(17)23-19(24)25)12-7-9-13(10-8-12)20(3,4)26;1-4-13(5-2)23-16-15(14(20)10-21-17(16)22-19(23)25)11-7-6-8-12(9-11)18(24)26-3;1-3-12(4-2)22-15-14(10-6-5-7-11(8-10)17(23)24)13(19)9-20-16(15)21-18(22)25;1-3-10(4-2)22-15-14(11-7-5-6-8-12(11)17(23)24)13(19)9-20-16(15)21-18(22)25;1-3-13(4-2)22-16-15(12-7-5-11(10-23)6-8-12)14(19)9-20-17(16)21-18(22)24/h7-11,14,26H,5-6H2,1-4H3,(H,22,23,25);6-10,13H,4-5H2,1-3H3,(H,21,22,25);5-9,12H,3-4H2,1-2H3,(H,23,24)(H,20,21,25);5-10H,3-4H2,1-2H3,(H,23,24)(H,20,21,25);5-9,13,23H,3-4,10H2,1-2H3,(H,20,21,24)
InChIKeyHGUYKXZDCWUGCR-UHFFFAOYSA-N
XLogP20.93
TPSA394.76 Ų
H-Bond Donors9
H-Bond Acceptors21
Rotatable Bonds25
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001813.18
LogP ≤ 520.93
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1021

Analyze 6-chloro-7-[4-(hydroxymethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[4-(2-hydroxypropan-2-yl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;2-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzoic acid;3-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzoic acid;methyl 3-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzoate with MolForge

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Related Compounds

6-chloro-7-[4-(hydroxymethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;methyl 3-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzoate
CID 67355222
Methyl 4-[(5-chloroimidazo[1,2-a]pyridin-8-yl)amino]benzoate;methyl 4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzoate;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzoic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroisoindol-1-one
CID 157645382
carbanide;[4-[4-(3,5-dimethyltriazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]-1H-indol-6-yl]methanol;ethane;methane;methyl 4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]-1H-indole-6-carboxylate;methyl 4-[4-(3,5-dimethyltriazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]-1H-indole-6-carboxylate;tungsten
CID 157980078
6-chloro-7-(4-fluorophenyl)-1-methyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-fluorophenyl)-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-fluorophenyl)-1-prop-2-enyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[4-(1-hydroxyethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;2-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzonitrile
CID 158362819
5-[8-(4-Acetyl-3-fluoroanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;4-[(5-chloroimidazo[1,2-a]pyridin-8-yl)amino]-2-fluorobenzoic acid;2-fluoro-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzoic acid;methyl 4-[(5-chloroimidazo[1,2-a]pyridin-8-yl)amino]-2-fluorobenzoate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroisoindol-1-one
CID 158612972
[3-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylphenyl]methanol;(2R)-1-[[3-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylphenyl]methyl]pyrrolidine-2-carboxylic acid;tert-butyl (2R)-1-[[3-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylphenyl]methyl]pyrrolidine-2-carboxylate;tert-butyl (2R)-pyrrolidine-2-carboxylate;5-[[5-(chloromethyl)-2-methylphenyl]methyl]-4-N-pentylpyrrolo[3,2-d]pyrimidine-2,4-diamine;methyl 3-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylbenzoate;thionyl dichloride
CID 159087862
benzene-1,2-diamine;benzyl (1S,4S)-5-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;benzyl carbonochloridate;benzyl (1S,4S)-5-(5-methoxycarbonyl-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1S,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1S,4S)-5-(5-methoxycarbonyl-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;methyl 6-chloropyridine-3-carboxylate;methyl 6-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-3-carboxylate;6-[(1S,4S)-5-phenylmethoxycarbonyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-3-carboxylic acid
CID 159683675
6-chloro-7-[3-(hydroxymethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-methylphenyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-methylsulfonylphenyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzamide;3-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzonitrile
CID 159863311
[3-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-4-methylphenyl]methanol;(2S)-2-aminohexan-1-ol;tert-butyl 4-[[3-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-4-methylphenyl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[3-[[2-amino-4-[[(2S)-1-hydroxyhexan-2-yl]amino]pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylphenyl]methyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;4-chloro-5H-cyclopenta[d]pyrimidin-2-amine;ethyl 3-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-4-methylbenzoate;ethyl 3-(bromomethyl)-4-methylbenzoate;lanthanum;oxolane
CID 159928280
2-(5-chloro-2-pyridinyl)-3-hydroxy-3H-isoindol-1-one;[(1S)-2-(5-chloro-2-pyridinyl)-3-oxo-1H-isoindol-1-yl] 4-methylpiperazine-1-carboxylate;bis([2-(5-chloro-2-pyridinyl)-3-oxo-1H-isoindol-1-yl] 4-methylpiperazine-1-carboxylate);methane;4-methylpiperazine-1-carbonyl chloride
CID 159940075
6-chloro-7-[3-(methoxymethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(3-methoxyphenyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;3-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzamide;3-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)-N,N-dimethylbenzamide;4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)-N,N-dimethylbenzamide
CID 160507800
[3-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-4-methylphenyl]methanol;(2S)-2-aminohexan-1-ol;(2S)-2-[[2-amino-5-[[2-methyl-5-(piperazin-1-ylmethyl)phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;tert-butyl 4-[[3-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-4-methylphenyl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[3-[[2-amino-4-[[(2S)-1-hydroxyhexan-2-yl]amino]pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylphenyl]methyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;4-chloro-5H-cyclopenta[d]pyrimidin-2-amine;ethyl 3-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-4-methylbenzoate;ethyl 3-(bromomethyl)-4-methylbenzoate;methane;oxolane
CID 161026666

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-[4-(hydroxymethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[4-(2-hydroxypropan-2-yl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;2-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzoic acid;3-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzoic acid;methyl 3-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzoate?
The IUPAC name of 6-chloro-7-[4-(hydroxymethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[4-(2-hydroxypropan-2-yl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;2-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzoic acid;3-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzoic acid;methyl 3-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzoate (CID 158474971) is 6-chloro-7-[4-(hydroxymethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[4-(2-hydroxypropan-2-yl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;2-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzoic acid;3-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzoic acid;methyl 3-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzoate.
What is the SMILES notation for 6-chloro-7-[4-(hydroxymethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[4-(2-hydroxypropan-2-yl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;2-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzoic acid;3-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzoic acid;methyl 3-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzoate?
The canonical SMILES for 6-chloro-7-[4-(hydroxymethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[4-(2-hydroxypropan-2-yl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;2-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzoic acid;3-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzoic acid;methyl 3-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzoate is CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(-c3ccc(C(C)(C)O)cc3)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(-c3ccc(CO)cc3)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(-c3cccc(C(=O)O)c3)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(-c3cccc(C(=O)OC)c3)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(-c3ccccc3C(=O)O)c21.
What is the InChIKey of 6-chloro-7-[4-(hydroxymethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[4-(2-hydroxypropan-2-yl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;2-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzoic acid;3-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzoic acid;methyl 3-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzoate?
The InChIKey is HGUYKXZDCWUGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2.C19H20ClN3O3.2C18H18ClN3O3.C18H20ClN3O2/c1-5-14(6-2)24-17-16(15(21)11-22-18(17)23-19(24)25)12-7-9-13(10-8-12)20(3,4)26;1-4-13(5-2)23-16-15(14(20)10-21-17(16)22-19(23)25)11-7-6-8-12(9-11)18(24)26-3;1-3-12(4-2)22-15-14(10-6-5-7-11(8-10)17(23)24)13(19)9-20-16(15)21-18(22)25;1-3-10(4-2)22-15-14(11-7-5-6-8-12(11)17(23)24)13(19)9-20-16(15)21-18(22)25;1-3-13(4-2)22-16-15(12-7-5-11(10-23)6-8-12)14(19)9-20-17(16)21-18(22)24/h7-11,14,26H,5-6H2,1-4H3,(H,22,23,25);6-10,13H,4-5H2,1-3H3,(H,21,22,25);5-9,12H,3-4H2,1-2H3,(H,23,24)(H,20,21,25);5-10H,3-4H2,1-2H3,(H,23,24)(H,20,21,25);5-9,13,23H,3-4,10H2,1-2H3,(H,20,21,24).
What are the key properties of 6-chloro-7-[4-(hydroxymethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[4-(2-hydroxypropan-2-yl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;2-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzoic acid;3-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzoic acid;methyl 3-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzoate?
6-chloro-7-[4-(hydroxymethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[4-(2-hydroxypropan-2-yl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;2-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzoic acid;3-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzoic acid;methyl 3-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzoate has a molecular weight of 1813.18 g/mol, XLogP of 20.93, 25 rotatable bonds, 9 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-[4-(hydroxymethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[4-(2-hydroxypropan-2-yl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;2-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzoic acid;3-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzoic acid;methyl 3-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzoate is sourced from PubChem (CID 158474971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).