6-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]-5-methylpyridine-3-carboxylic acid;6-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid;2-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyrimidine-5-carboxylic acid

C72H58F3N13O6 — CID 158450232

IUPAC6-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]-5-methylpyridine-3-carboxylic acid;6-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid;2-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyrimidine-5-carboxylic acid
SMILESCC(C)c1c(-c2cccc(C(=O)O)n2)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.CC(C)c1c(-c2ncc(C(=O)O)cn2)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.Cc1cc(C(=O)O)cnc1-c1c(C(C)C)n(-c2ccc(F)cc2)c2cc3cn[nH]c3cc12
InChIInChI=1S/C25H21FN4O2.C24H19FN4O2.C23H18FN5O2/c1-13(2)24-22(23-14(3)8-16(11-27-23)25(31)32)19-10-20-15(12-28-29-20)9-21(19)30(24)18-6-4-17(26)5-7-18;1-13(2)23-22(18-4-3-5-19(27-18)24(30)31)17-11-20-14(12-26-28-20)10-21(17)29(23)16-8-6-15(25)7-9-16;1-12(2)21-20(22-25-9-14(10-26-22)23(30)31)17-8-18-13(11-27-28-18)7-19(17)29(21)16-5-3-15(24)4-6-16/h4-13H,1-3H3,(H,28,29)(H,31,32);3-13H,1-2H3,(H,26,28)(H,30,31);3-12H,1-2H3,(H,27,28)(H,30,31)
InChIKeyHDWRMEFKNSLRDB-UHFFFAOYSA-N
MW1258.33 g/mol
LogP16.29
Rot. Bonds12

About 6-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]-5-methylpyridine-3-carboxylic acid;6-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid;2-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyrimidine-5-carboxylic acid

6-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]-5-methylpyridine-3-carboxylic acid;6-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid;2-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyrimidine-5-carboxylic acid (PubChem CID 158450232) has the molecular formula C72H58F3N13O6 and a molecular weight of 1258.33 g/mol. Its IUPAC name is 6-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]-5-methylpyridine-3-carboxylic acid;6-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid;2-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name6-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]-5-methylpyridine-3-carboxylic acid;6-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid;2-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyrimidine-5-carboxylic acid
PubChem CID158450232
Molecular FormulaC72H58F3N13O6
Molecular Weight1258.33 g/mol
Exact Mass1257.46
IUPAC Name6-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]-5-methylpyridine-3-carboxylic acid;6-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid;2-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyrimidine-5-carboxylic acid
SMILESCC(C)c1c(-c2cccc(C(=O)O)n2)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.CC(C)c1c(-c2ncc(C(=O)O)cn2)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.Cc1cc(C(=O)O)cnc1-c1c(C(C)C)n(-c2ccc(F)cc2)c2cc3cn[nH]c3cc12
InChIInChI=1S/C25H21FN4O2.C24H19FN4O2.C23H18FN5O2/c1-13(2)24-22(23-14(3)8-16(11-27-23)25(31)32)19-10-20-15(12-28-29-20)9-21(19)30(24)18-6-4-17(26)5-7-18;1-13(2)23-22(18-4-3-5-19(27-18)24(30)31)17-11-20-14(12-26-28-20)10-21(17)29(23)16-8-6-15(25)7-9-16;1-12(2)21-20(22-25-9-14(10-26-22)23(30)31)17-8-18-13(11-27-28-18)7-19(17)29(21)16-5-3-15(24)4-6-16/h4-13H,1-3H3,(H,28,29)(H,31,32);3-13H,1-2H3,(H,26,28)(H,30,31);3-12H,1-2H3,(H,27,28)(H,30,31)
InChIKeyHDWRMEFKNSLRDB-UHFFFAOYSA-N
XLogP16.29
TPSA264.29 Ų
H-Bond Donors6
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms94
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001258.33
LogP ≤ 516.29
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1013

Analyze 6-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]-5-methylpyridine-3-carboxylic acid;6-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid;2-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyrimidine-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-[2-(4-Fluorophenyl)ethyl]indazole-5-carboxylic acid;2-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;1-[(4-fluorophenyl)methyl]indazole-6-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-5-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-6-carboxylic acid;1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde;2-[(4-methylphenyl)methyl]indazole-5-carboxylic acid;1-(1-phenylethyl)indazole-5-carboxylic acid;2-(1-phenylethyl)indazole-5-carboxylic acid;1-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;1-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid
CID 159902589
Ethane;1-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;2-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;1-[(4-fluorophenyl)methyl]indazole-6-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-5-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-6-carboxylic acid;1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;2-[(4-methylphenyl)methyl]indazole-5-carboxylic acid;1-(1-phenylethyl)indazole-5-carboxylic acid;2-(1-phenylethyl)indazole-5-carboxylic acid;1-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;1-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid
CID 160445591
2-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;1-[2-(4-fluorophenyl)ethyl]-2H-indazol-1-ium-5-carboxylic acid;1-[(4-fluorophenyl)methyl]-3a,7a-dihydroindazole-6-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-5-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-6-carboxylic acid;1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;2-[(4-methylphenyl)methyl]indazole-5-carboxylic acid;1-(1-phenylethyl)-2,7a-dihydroindazole-5-carboxylic acid;2-(1-phenylethyl)indazole-5-carboxylic acid;1-[[3-(trifluoromethyl)phenyl]methyl]-2,7a-dihydroindazole-5-carboxylic acid;1-[[4-(trifluoromethyl)phenyl]methyl]-2,7a-dihydroindazole-5-carboxylic acid;2-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid
CID 160556834
1-[2-(4-Fluorophenyl)ethyl]indazole-5-carboxylic acid;2-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;1-[(4-fluorophenyl)methyl]indazole-6-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-5-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-6-carboxylic acid;1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;1-(1-phenylethyl)indazole-5-carboxylic acid;2-(1-phenylethyl)indazole-5-carboxylic acid;1-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;1-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid
CID 160602993
1-[2-(4-Fluorophenyl)ethyl]indazole-5-carboxylic acid;2-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;1-[(4-fluorophenyl)methyl]indazole-6-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-5-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-6-carboxylic acid;1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;2-[(4-methylphenyl)methyl]indazole-5-carboxylic acid;1-(1-phenylethyl)indazole-5-carboxylic acid;2-(1-phenylethyl)indazole-5-carboxylic acid;1-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;1-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid
CID 160849664
N,N-dimethyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;(5-fluoro-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;[4-hydroxy-4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone;1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methyl-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(7-prop-1-en-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]propan-1-one
CID 162081497
1-cyclopenta-1,4-dien-1-yl-4-methylbenzene;5-(4,4-difluorocyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(1,4-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(3H-indol-6-yl)-3-methyl-1,2,4-oxadiazole;(2S)-3-(1H-indol-3-yl)-2-methylpropanoic acid;3-methyl-5-(3-methylcyclohexyl)-1,2,4-oxadiazole;N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;3-methyl-5-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole;3-methyl-5-pyridin-2-yl-1,2,4-oxadiazole;3-methyl-5-pyrimidin-5-yl-1,2,4-oxadiazole
CID 167708074
1-methyl-6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]indole-2-carboxylic acid
CID 137387509
2-fluoro-5-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]benzoic acid;4-[8-fluoro-5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]benzoic acid;5-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-3-methylpyridine-2-carboxylic acid
CID 157201183
1,5-Dimethyl-7-propan-2-ylindole-2-carboxylic acid;3-methyl-5-(1-methyl-3-propan-2-ylindol-5-yl)-1,2,4-oxadiazole;1-methyl-5-(1-methylpyrazol-4-yl)-3-propan-2-ylindole;1-methyl-3-propan-2-ylindole-5-carboxamide;1-methyl-3-propan-2-yl-5-pyridin-2-ylindole;1-methyl-3-propan-2-yl-5-pyrimidin-2-ylindole;1-methyl-7-propan-2-yl-5-(pyrrolidin-1-ylmethyl)indole-2-carboxylic acid;1-[(3-methyl-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-(2-piperidin-1-ylethyl)-3-propan-2-ylindole-6-carboxamide
CID 157436362
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
lithium;methyl azetidine-3-carboxylate;methyl 1-[6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-1H-indole-2-carbonyl]azetidine-3-carboxylate;1-[6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-1H-indole-2-carbonyl]azetidine-3-carboxylic acid;6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-1H-indole-2-carboxylic acid;hydroxide
CID 158126805

Frequently Asked Questions

What is the IUPAC name of 6-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]-5-methylpyridine-3-carboxylic acid;6-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid;2-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyrimidine-5-carboxylic acid?
The IUPAC name of 6-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]-5-methylpyridine-3-carboxylic acid;6-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid;2-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyrimidine-5-carboxylic acid (CID 158450232) is 6-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]-5-methylpyridine-3-carboxylic acid;6-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid;2-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 6-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]-5-methylpyridine-3-carboxylic acid;6-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid;2-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyrimidine-5-carboxylic acid?
The canonical SMILES for 6-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]-5-methylpyridine-3-carboxylic acid;6-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid;2-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyrimidine-5-carboxylic acid is CC(C)c1c(-c2cccc(C(=O)O)n2)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.CC(C)c1c(-c2ncc(C(=O)O)cn2)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.Cc1cc(C(=O)O)cnc1-c1c(C(C)C)n(-c2ccc(F)cc2)c2cc3cn[nH]c3cc12.
What is the InChIKey of 6-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]-5-methylpyridine-3-carboxylic acid;6-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid;2-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyrimidine-5-carboxylic acid?
The InChIKey is HDWRMEFKNSLRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O2.C24H19FN4O2.C23H18FN5O2/c1-13(2)24-22(23-14(3)8-16(11-27-23)25(31)32)19-10-20-15(12-28-29-20)9-21(19)30(24)18-6-4-17(26)5-7-18;1-13(2)23-22(18-4-3-5-19(27-18)24(30)31)17-11-20-14(12-26-28-20)10-21(17)29(23)16-8-6-15(25)7-9-16;1-12(2)21-20(22-25-9-14(10-26-22)23(30)31)17-8-18-13(11-27-28-18)7-19(17)29(21)16-5-3-15(24)4-6-16/h4-13H,1-3H3,(H,28,29)(H,31,32);3-13H,1-2H3,(H,26,28)(H,30,31);3-12H,1-2H3,(H,27,28)(H,30,31).
What are the key properties of 6-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]-5-methylpyridine-3-carboxylic acid;6-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid;2-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyrimidine-5-carboxylic acid?
6-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]-5-methylpyridine-3-carboxylic acid;6-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid;2-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyrimidine-5-carboxylic acid has a molecular weight of 1258.33 g/mol, XLogP of 16.29, 12 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]-5-methylpyridine-3-carboxylic acid;6-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid;2-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 158450232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).