5-chloro-3-(3-fluorophenyl)-1-methylpyrazolo[4,3-b]pyridine;5-chloro-3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine;3-(3-fluorophenyl)-4-hydroxy-1-methylpyrazolo[4,3-b]pyridin-4-ium;3-(3-fluorophenyl)-1-methylpyrazolo[4,3-b]pyridine;3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid

C64H46Cl2F4N15O3+ — CID 161178298

IUPAC5-chloro-3-(3-fluorophenyl)-1-methylpyrazolo[4,3-b]pyridine;5-chloro-3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine;3-(3-fluorophenyl)-4-hydroxy-1-methylpyrazolo[4,3-b]pyridin-4-ium;3-(3-fluorophenyl)-1-methylpyrazolo[4,3-b]pyridine;3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCn1nc(-c2cccc(F)c2)c2c1ccc[n+]2O.Cn1nc(-c2cccc(F)c2)c2nc(Cl)ccc21.Cn1nc(-c2cccc(F)c2)c2ncccc21.Fc1cccc(-c2n[nH]c3ccc(Cl)nc23)c1.O=C(O)c1cnc2n[nH]c(-c3ccccc3)c2c1
InChIInChI=1S/C13H9ClFN3.C13H11FN3O.C13H10FN3.C13H9N3O2.C12H7ClFN3/c1-18-10-5-6-11(14)16-13(10)12(17-18)8-3-2-4-9(15)7-8;1-16-11-6-3-7-17(18)13(11)12(15-16)9-4-2-5-10(14)8-9;1-17-11-6-3-7-15-13(11)12(16-17)9-4-2-5-10(14)8-9;17-13(18)9-6-10-11(8-4-2-1-3-5-8)15-16-12(10)14-7-9;13-10-5-4-9-12(15-10)11(17-16-9)7-2-1-3-8(14)6-7/h2-7H,1H3;2-8,18H,1H3;2-8H,1H3;1-7H,(H,17,18)(H,14,15,16);1-6H,(H,16,17)/q;+1;;;
InChIKeyZRWUAOJGWYNNTM-UHFFFAOYSA-N
MW1220.07 g/mol
LogP13.85
Rot. Bonds6

About 5-chloro-3-(3-fluorophenyl)-1-methylpyrazolo[4,3-b]pyridine;5-chloro-3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine;3-(3-fluorophenyl)-4-hydroxy-1-methylpyrazolo[4,3-b]pyridin-4-ium;3-(3-fluorophenyl)-1-methylpyrazolo[4,3-b]pyridine;3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid

5-chloro-3-(3-fluorophenyl)-1-methylpyrazolo[4,3-b]pyridine;5-chloro-3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine;3-(3-fluorophenyl)-4-hydroxy-1-methylpyrazolo[4,3-b]pyridin-4-ium;3-(3-fluorophenyl)-1-methylpyrazolo[4,3-b]pyridine;3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid (PubChem CID 161178298) has the molecular formula C64H46Cl2F4N15O3+ and a molecular weight of 1220.07 g/mol. Its IUPAC name is 5-chloro-3-(3-fluorophenyl)-1-methylpyrazolo[4,3-b]pyridine;5-chloro-3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine;3-(3-fluorophenyl)-4-hydroxy-1-methylpyrazolo[4,3-b]pyridin-4-ium;3-(3-fluorophenyl)-1-methylpyrazolo[4,3-b]pyridine;3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name5-chloro-3-(3-fluorophenyl)-1-methylpyrazolo[4,3-b]pyridine;5-chloro-3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine;3-(3-fluorophenyl)-4-hydroxy-1-methylpyrazolo[4,3-b]pyridin-4-ium;3-(3-fluorophenyl)-1-methylpyrazolo[4,3-b]pyridine;3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
PubChem CID161178298
Molecular FormulaC64H46Cl2F4N15O3+
Molecular Weight1220.07 g/mol
Exact Mass1218.32
IUPAC Name5-chloro-3-(3-fluorophenyl)-1-methylpyrazolo[4,3-b]pyridine;5-chloro-3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine;3-(3-fluorophenyl)-4-hydroxy-1-methylpyrazolo[4,3-b]pyridin-4-ium;3-(3-fluorophenyl)-1-methylpyrazolo[4,3-b]pyridine;3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCn1nc(-c2cccc(F)c2)c2c1ccc[n+]2O.Cn1nc(-c2cccc(F)c2)c2nc(Cl)ccc21.Cn1nc(-c2cccc(F)c2)c2ncccc21.Fc1cccc(-c2n[nH]c3ccc(Cl)nc23)c1.O=C(O)c1cnc2n[nH]c(-c3ccccc3)c2c1
InChIInChI=1S/C13H9ClFN3.C13H11FN3O.C13H10FN3.C13H9N3O2.C12H7ClFN3/c1-18-10-5-6-11(14)16-13(10)12(17-18)8-3-2-4-9(15)7-8;1-16-11-6-3-7-17(18)13(11)12(15-16)9-4-2-5-10(14)8-9;1-17-11-6-3-7-15-13(11)12(16-17)9-4-2-5-10(14)8-9;17-13(18)9-6-10-11(8-4-2-1-3-5-8)15-16-12(10)14-7-9;13-10-5-4-9-12(15-10)11(17-16-9)7-2-1-3-8(14)6-7/h2-7H,1H3;2-8,18H,1H3;2-8H,1H3;1-7H,(H,17,18)(H,14,15,16);1-6H,(H,16,17)/q;+1;;;
InChIKeyZRWUAOJGWYNNTM-UHFFFAOYSA-N
XLogP13.85
TPSA223.79 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001220.07
LogP ≤ 513.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 5-chloro-3-(3-fluorophenyl)-1-methylpyrazolo[4,3-b]pyridine;5-chloro-3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine;3-(3-fluorophenyl)-4-hydroxy-1-methylpyrazolo[4,3-b]pyridin-4-ium;3-(3-fluorophenyl)-1-methylpyrazolo[4,3-b]pyridine;3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-(2-fluoro-5-methyl-3-pyridinyl)indole-5-carboxylic acid;1-(4-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(5-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(6-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(2-methylpyrimidin-4-yl)indole-5-carboxylic acid
CID 158545391
Tert-butyl 2-(2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)acetate;2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-amine;2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;1-(2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-3-[5-(triazol-2-yl)-2-(trifluoromethyl)-4-pyridinyl]propan-2-one
CID 159288176
1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-[2-fluoro-5-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid;1-(2-methyl-4-pyridinyl)indole-5-carboxylic acid;1-(4-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(5-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(6-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(2-methylpyrimidin-4-yl)indole-5-carboxylic acid
CID 159849254
3-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]benzoic acid;4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]benzoic acid;4-[4-amino-5-[7-(trifluoromethyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;methyl 4-[4-amino-5-[7-(trifluoromethyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate
CID 160000148
1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-(2-fluoro-5-methyl-3-pyridinyl)indole-5-carboxylic acid;1-(2-methyl-4-pyridinyl)indole-5-carboxylic acid;1-(4-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(5-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(6-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(2-methylpyrimidin-4-yl)indole-5-carboxylic acid
CID 161126101
ethyl 4-chloro-1,3-diphenylpyrazolo[3,4-b]pyridine-5-carboxylate;1-fluoro-4-isocyanato-2-(trifluoromethyl)benzene;N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-4-(4-methylpiperazin-1-yl)-1,3-diphenylpyrazolo[3,4-b]pyridine-5-carboxamide;1-methylpiperazine;4-(4-methylpiperazin-1-yl)-1,3-diphenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-(4-methylpiperazin-1-yl)-1,3-diphenylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 161443345
1-[(2,6-dichlorophenyl)methyl]-N-(methylideneamino)indazole-3-carboxamide;1-[(2,6-dichlorophenyl)methyl]-3-methylindazole;1-[(2,6-dichlorophenyl)methyl]pyrazolo[4,3-b]pyridine-3-carboxylic acid;1-[(2,6-dichlorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylic acid;1-[(2,6-dichlorophenyl)methyl]pyrazolo[4,3-c]pyridine-3-carboxylic acid;1-[(2,6-dichlorophenyl)methyl]pyrazolo[5,4-c]pyridine-3-carboxylic acid
CID 90963431
5-(1-benzylpyrazol-4-yl)-1-[(2-chloro-5-fluorophenyl)methoxy]imidazo[4,5-b]pyrazine;N-[(2-chloro-5-fluorophenyl)methyl]-3-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[2,3-b]pyrazin-5-amine;1-[3-[1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazolo[3,4-b]pyrazin-6-yl]phenyl]-4-(dimethylamino)butan-1-one
CID 157726975
3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]benzoic acid;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]pyrimidin-2-amine;4-[3-(1,3-dimethylpyrazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[3-(1,5-dimethylpyrazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
CID 157747645
1-benzyl-5-isocyano-3-naphthalen-2-ylpyrazolo[5,4-b]pyridine;5-isocyano-3-naphthalen-2-yl-2H-pyrazolo[3,4-b]pyridine;N-(2-methyl-3-pyridinyl)acetamide;3-naphthalen-2-yl-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid;3-naphthalen-2-yl-1H-pyrazolo[3,4-c]pyridine-5-carboxylic acid
CID 157896907
5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methylbenzimidazole;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methylbenzimidazole;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;methyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylate;1-methyl-5-[2-(3-methylphenyl)-3-pyridinyl]benzimidazole;1-methyl-6-[2-(3-methylphenyl)-3-pyridinyl]benzimidazole
CID 158253026
4-(2,3-dichlorophenyl)-3-methyl-5-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,2-oxazole;4-(2,3-dichlorophenyl)-5-(7H-pyrrolo[2,3-c]pyridazin-5-yl)-1,2-oxazole;4-(2,3-dichlorophenyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,2-oxazole;4-(2,3-difluorophenyl)-5-(7H-pyrrolo[2,3-c]pyridazin-5-yl)-1,2-oxazole;4-(2,3-difluorophenyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,2-oxazole;5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 158297887

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(3-fluorophenyl)-1-methylpyrazolo[4,3-b]pyridine;5-chloro-3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine;3-(3-fluorophenyl)-4-hydroxy-1-methylpyrazolo[4,3-b]pyridin-4-ium;3-(3-fluorophenyl)-1-methylpyrazolo[4,3-b]pyridine;3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid?
The IUPAC name of 5-chloro-3-(3-fluorophenyl)-1-methylpyrazolo[4,3-b]pyridine;5-chloro-3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine;3-(3-fluorophenyl)-4-hydroxy-1-methylpyrazolo[4,3-b]pyridin-4-ium;3-(3-fluorophenyl)-1-methylpyrazolo[4,3-b]pyridine;3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid (CID 161178298) is 5-chloro-3-(3-fluorophenyl)-1-methylpyrazolo[4,3-b]pyridine;5-chloro-3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine;3-(3-fluorophenyl)-4-hydroxy-1-methylpyrazolo[4,3-b]pyridin-4-ium;3-(3-fluorophenyl)-1-methylpyrazolo[4,3-b]pyridine;3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 5-chloro-3-(3-fluorophenyl)-1-methylpyrazolo[4,3-b]pyridine;5-chloro-3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine;3-(3-fluorophenyl)-4-hydroxy-1-methylpyrazolo[4,3-b]pyridin-4-ium;3-(3-fluorophenyl)-1-methylpyrazolo[4,3-b]pyridine;3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid?
The canonical SMILES for 5-chloro-3-(3-fluorophenyl)-1-methylpyrazolo[4,3-b]pyridine;5-chloro-3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine;3-(3-fluorophenyl)-4-hydroxy-1-methylpyrazolo[4,3-b]pyridin-4-ium;3-(3-fluorophenyl)-1-methylpyrazolo[4,3-b]pyridine;3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid is Cn1nc(-c2cccc(F)c2)c2c1ccc[n+]2O.Cn1nc(-c2cccc(F)c2)c2nc(Cl)ccc21.Cn1nc(-c2cccc(F)c2)c2ncccc21.Fc1cccc(-c2n[nH]c3ccc(Cl)nc23)c1.O=C(O)c1cnc2n[nH]c(-c3ccccc3)c2c1.
What is the InChIKey of 5-chloro-3-(3-fluorophenyl)-1-methylpyrazolo[4,3-b]pyridine;5-chloro-3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine;3-(3-fluorophenyl)-4-hydroxy-1-methylpyrazolo[4,3-b]pyridin-4-ium;3-(3-fluorophenyl)-1-methylpyrazolo[4,3-b]pyridine;3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid?
The InChIKey is ZRWUAOJGWYNNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3.C13H11FN3O.C13H10FN3.C13H9N3O2.C12H7ClFN3/c1-18-10-5-6-11(14)16-13(10)12(17-18)8-3-2-4-9(15)7-8;1-16-11-6-3-7-17(18)13(11)12(15-16)9-4-2-5-10(14)8-9;1-17-11-6-3-7-15-13(11)12(16-17)9-4-2-5-10(14)8-9;17-13(18)9-6-10-11(8-4-2-1-3-5-8)15-16-12(10)14-7-9;13-10-5-4-9-12(15-10)11(17-16-9)7-2-1-3-8(14)6-7/h2-7H,1H3;2-8,18H,1H3;2-8H,1H3;1-7H,(H,17,18)(H,14,15,16);1-6H,(H,16,17)/q;+1;;;.
What are the key properties of 5-chloro-3-(3-fluorophenyl)-1-methylpyrazolo[4,3-b]pyridine;5-chloro-3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine;3-(3-fluorophenyl)-4-hydroxy-1-methylpyrazolo[4,3-b]pyridin-4-ium;3-(3-fluorophenyl)-1-methylpyrazolo[4,3-b]pyridine;3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid?
5-chloro-3-(3-fluorophenyl)-1-methylpyrazolo[4,3-b]pyridine;5-chloro-3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine;3-(3-fluorophenyl)-4-hydroxy-1-methylpyrazolo[4,3-b]pyridin-4-ium;3-(3-fluorophenyl)-1-methylpyrazolo[4,3-b]pyridine;3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid has a molecular weight of 1220.07 g/mol, XLogP of 13.85, 6 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(3-fluorophenyl)-1-methylpyrazolo[4,3-b]pyridine;5-chloro-3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine;3-(3-fluorophenyl)-4-hydroxy-1-methylpyrazolo[4,3-b]pyridin-4-ium;3-(3-fluorophenyl)-1-methylpyrazolo[4,3-b]pyridine;3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 161178298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).