5-tert-butyl-3-cyclopropyl-1-methylindazole;5-tert-butyl-1-methyl-3-(1-methylpyrazol-4-yl)indazole;2-tert-butyl-1-methyl-6-(1-methylpyrazol-4-yl)indole;1-tert-butyl-3-methyl-2-propan-2-ylindole;5-tert-butyl-3-(1-methylpyrazol-4-yl)-1H-indazole;2-[5-tert-butyl-3-(1-methylpyrazol-4-yl)indazol-1-yl]ethanol;methyl 3-tert-butyl-1-methylindole-6-carboxylate

C111H143N19O3 — CID 158689929

IUPAC5-tert-butyl-3-cyclopropyl-1-methylindazole;5-tert-butyl-1-methyl-3-(1-methylpyrazol-4-yl)indazole;2-tert-butyl-1-methyl-6-(1-methylpyrazol-4-yl)indole;1-tert-butyl-3-methyl-2-propan-2-ylindole;5-tert-butyl-3-(1-methylpyrazol-4-yl)-1H-indazole;2-[5-tert-butyl-3-(1-methylpyrazol-4-yl)indazol-1-yl]ethanol;methyl 3-tert-butyl-1-methylindole-6-carboxylate
SMILESCOC(=O)c1ccc2c(C(C)(C)C)cn(C)c2c1.Cc1c(C(C)C)n(C(C)(C)C)c2ccccc12.Cn1cc(-c2ccc3cc(C(C)(C)C)n(C)c3c2)cn1.Cn1cc(-c2n[nH]c3ccc(C(C)(C)C)cc23)cn1.Cn1cc(-c2nn(C)c3ccc(C(C)(C)C)cc23)cn1.Cn1cc(-c2nn(CCO)c3ccc(C(C)(C)C)cc23)cn1.Cn1nc(C2CC2)c2cc(C(C)(C)C)ccc21
InChIInChI=1S/C17H22N4O.C17H21N3.C16H20N4.C16H23N.C15H18N4.C15H20N2.C15H19NO2/c1-17(2,3)13-5-6-15-14(9-13)16(19-21(15)7-8-22)12-10-18-20(4)11-12;1-17(2,3)16-9-13-7-6-12(8-15(13)20(16)5)14-10-18-19(4)11-14;1-16(2,3)12-6-7-14-13(8-12)15(18-20(14)5)11-9-17-19(4)10-11;1-11(2)15-12(3)13-9-7-8-10-14(13)17(15)16(4,5)6;1-15(2,3)11-5-6-13-12(7-11)14(18-17-13)10-8-16-19(4)9-10;1-15(2,3)11-7-8-13-12(9-11)14(10-5-6-10)16-17(13)4;1-15(2,3)12-9-16(4)13-8-10(14(17)18-5)6-7-11(12)13/h5-6,9-11,22H,7-8H2,1-4H3;6-11H,1-5H3;6-10H,1-5H3;7-11H,1-6H3;5-9H,1-4H3,(H,17,18);7-10H,5-6H2,1-4H3;6-9H,1-5H3
InChIKeyIGFFWXHOTKWFAE-UHFFFAOYSA-N
MW1791.49 g/mol
LogP24.97
Rot. Bonds9

About 5-tert-butyl-3-cyclopropyl-1-methylindazole;5-tert-butyl-1-methyl-3-(1-methylpyrazol-4-yl)indazole;2-tert-butyl-1-methyl-6-(1-methylpyrazol-4-yl)indole;1-tert-butyl-3-methyl-2-propan-2-ylindole;5-tert-butyl-3-(1-methylpyrazol-4-yl)-1H-indazole;2-[5-tert-butyl-3-(1-methylpyrazol-4-yl)indazol-1-yl]ethanol;methyl 3-tert-butyl-1-methylindole-6-carboxylate

5-tert-butyl-3-cyclopropyl-1-methylindazole;5-tert-butyl-1-methyl-3-(1-methylpyrazol-4-yl)indazole;2-tert-butyl-1-methyl-6-(1-methylpyrazol-4-yl)indole;1-tert-butyl-3-methyl-2-propan-2-ylindole;5-tert-butyl-3-(1-methylpyrazol-4-yl)-1H-indazole;2-[5-tert-butyl-3-(1-methylpyrazol-4-yl)indazol-1-yl]ethanol;methyl 3-tert-butyl-1-methylindole-6-carboxylate (PubChem CID 158689929) has the molecular formula C111H143N19O3 and a molecular weight of 1791.49 g/mol. Its IUPAC name is 5-tert-butyl-3-cyclopropyl-1-methylindazole;5-tert-butyl-1-methyl-3-(1-methylpyrazol-4-yl)indazole;2-tert-butyl-1-methyl-6-(1-methylpyrazol-4-yl)indole;1-tert-butyl-3-methyl-2-propan-2-ylindole;5-tert-butyl-3-(1-methylpyrazol-4-yl)-1H-indazole;2-[5-tert-butyl-3-(1-methylpyrazol-4-yl)indazol-1-yl]ethanol;methyl 3-tert-butyl-1-methylindole-6-carboxylate.

Molecular Properties

Compound Name5-tert-butyl-3-cyclopropyl-1-methylindazole;5-tert-butyl-1-methyl-3-(1-methylpyrazol-4-yl)indazole;2-tert-butyl-1-methyl-6-(1-methylpyrazol-4-yl)indole;1-tert-butyl-3-methyl-2-propan-2-ylindole;5-tert-butyl-3-(1-methylpyrazol-4-yl)-1H-indazole;2-[5-tert-butyl-3-(1-methylpyrazol-4-yl)indazol-1-yl]ethanol;methyl 3-tert-butyl-1-methylindole-6-carboxylate
PubChem CID158689929
Molecular FormulaC111H143N19O3
Molecular Weight1791.49 g/mol
Exact Mass1790.16
IUPAC Name5-tert-butyl-3-cyclopropyl-1-methylindazole;5-tert-butyl-1-methyl-3-(1-methylpyrazol-4-yl)indazole;2-tert-butyl-1-methyl-6-(1-methylpyrazol-4-yl)indole;1-tert-butyl-3-methyl-2-propan-2-ylindole;5-tert-butyl-3-(1-methylpyrazol-4-yl)-1H-indazole;2-[5-tert-butyl-3-(1-methylpyrazol-4-yl)indazol-1-yl]ethanol;methyl 3-tert-butyl-1-methylindole-6-carboxylate
SMILESCOC(=O)c1ccc2c(C(C)(C)C)cn(C)c2c1.Cc1c(C(C)C)n(C(C)(C)C)c2ccccc12.Cn1cc(-c2ccc3cc(C(C)(C)C)n(C)c3c2)cn1.Cn1cc(-c2n[nH]c3ccc(C(C)(C)C)cc23)cn1.Cn1cc(-c2nn(C)c3ccc(C(C)(C)C)cc23)cn1.Cn1cc(-c2nn(CCO)c3ccc(C(C)(C)C)cc23)cn1.Cn1nc(C2CC2)c2cc(C(C)(C)C)ccc21
InChIInChI=1S/C17H22N4O.C17H21N3.C16H20N4.C16H23N.C15H18N4.C15H20N2.C15H19NO2/c1-17(2,3)13-5-6-15-14(9-13)16(19-21(15)7-8-22)12-10-18-20(4)11-12;1-17(2,3)16-9-13-7-6-12(8-15(13)20(16)5)14-10-18-19(4)11-14;1-16(2,3)12-6-7-14-13(8-12)15(18-20(14)5)11-9-17-19(4)10-11;1-11(2)15-12(3)13-9-7-8-10-14(13)17(15)16(4,5)6;1-15(2,3)11-5-6-13-12(7-11)14(18-17-13)10-8-16-19(4)9-10;1-15(2,3)11-7-8-13-12(9-11)14(10-5-6-10)16-17(13)4;1-15(2,3)12-9-16(4)13-8-10(14(17)18-5)6-7-11(12)13/h5-6,9-11,22H,7-8H2,1-4H3;6-11H,1-5H3;6-10H,1-5H3;7-11H,1-6H3;5-9H,1-4H3,(H,17,18);7-10H,5-6H2,1-4H3;6-9H,1-5H3
InChIKeyIGFFWXHOTKWFAE-UHFFFAOYSA-N
XLogP24.97
TPSA214.74 Ų
H-Bond Donors2
H-Bond Acceptors21
Rotatable Bonds9
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001791.49
LogP ≤ 524.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze 5-tert-butyl-3-cyclopropyl-1-methylindazole;5-tert-butyl-1-methyl-3-(1-methylpyrazol-4-yl)indazole;2-tert-butyl-1-methyl-6-(1-methylpyrazol-4-yl)indole;1-tert-butyl-3-methyl-2-propan-2-ylindole;5-tert-butyl-3-(1-methylpyrazol-4-yl)-1H-indazole;2-[5-tert-butyl-3-(1-methylpyrazol-4-yl)indazol-1-yl]ethanol;methyl 3-tert-butyl-1-methylindole-6-carboxylate with MolForge

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Related Compounds

4-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-f]indazol-7-yl]benzoic acid;4-[5-(4-fluorophenyl)-6-(trifluoromethyl)-1H-pyrrolo[2,3-f]indazol-7-yl]benzoic acid;4-[5-(4-fluorophenyl)-6-trimethylsilyl-1H-pyrrolo[2,3-f]indazol-7-yl]benzoic acid
CID 160883531
2-fluoro-4-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]-6-methylbenzoic acid;2-[3-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]-4-methylphenyl]acetic acid;5-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]-2-(trifluoromethyl)benzoic acid
CID 161149682
methyl 4-[1-[[1-[[4-(1H-pyrazol-5-yl)phenyl]methyl]indol-5-yl]methyl]piperidin-4-yl]benzoate
CID 89952624
methyl 4-[1-[[1-[[4-(2-methyl-1H-pyrazol-2-ium-5-yl)phenyl]methyl]indol-5-yl]methyl]piperidin-4-yl]benzoate
CID 123432872
[3-[1-(2-Hydroxyethyl)-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-methylbutyl] 3-tert-butyl-1-methylindole-6-carboxylate
CID 137502394
methyl 4-piperidin-4-ylbenzoate;1-[[4-(1H-pyrazol-5-yl)phenyl]methyl]indole-5-carbaldehyde
CID 145704373
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
4-[6-(1-cyano-2-methylpropan-2-yl)-5-(cyclohexylmethyl)-1H-pyrrolo[2,3-f]indazol-7-yl]benzoic acid;4-[6-(1-cyano-2-methylpropan-2-yl)-5-cyclohexyl-1H-pyrrolo[2,3-f]indazol-7-yl]benzoic acid;3-[7-(6-dimethylphosphoryl-5-methyl-3-pyridinyl)-5-[(2-fluorophenyl)methyl]-1H-pyrrolo[2,3-f]indazol-6-yl]-3-methylbutanenitrile
CID 157216919
5-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-6-methoxypyridine-2-carboxamide;2-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-3-methylpyrazol-1-yl]acetic acid;2-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]pyrazol-1-yl]-2-methylpropanamide
CID 157241017
4-[6-butan-2-yl-5-(4-fluorophenyl)-1H-pyrrolo[2,3-f]indazol-7-yl]benzoic acid;4-[5-(4-fluorophenyl)-6-(2-hydroxy-1-methoxybutan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]benzoic acid;4-[5-(4-fluorophenyl)-6-(2-methylpropyl)-1H-pyrrolo[2,3-f]indazol-7-yl]benzoic acid
CID 157298387
4-[5-(4-fluoro-3-methylphenyl)-6-(methoxymethyl)-1H-pyrrolo[2,3-f]indazol-7-yl]benzoic acid;3-[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]benzoic acid;4-[5-(3-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]benzoic acid
CID 157406910
4-[5-(3,4-difluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]benzoic acid;3-[5-(3,4-difluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-5-fluorobenzoic acid;4-[5-(3,4-difluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-3-fluorobenzoic acid
CID 157492274

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-cyclopropyl-1-methylindazole;5-tert-butyl-1-methyl-3-(1-methylpyrazol-4-yl)indazole;2-tert-butyl-1-methyl-6-(1-methylpyrazol-4-yl)indole;1-tert-butyl-3-methyl-2-propan-2-ylindole;5-tert-butyl-3-(1-methylpyrazol-4-yl)-1H-indazole;2-[5-tert-butyl-3-(1-methylpyrazol-4-yl)indazol-1-yl]ethanol;methyl 3-tert-butyl-1-methylindole-6-carboxylate?
The IUPAC name of 5-tert-butyl-3-cyclopropyl-1-methylindazole;5-tert-butyl-1-methyl-3-(1-methylpyrazol-4-yl)indazole;2-tert-butyl-1-methyl-6-(1-methylpyrazol-4-yl)indole;1-tert-butyl-3-methyl-2-propan-2-ylindole;5-tert-butyl-3-(1-methylpyrazol-4-yl)-1H-indazole;2-[5-tert-butyl-3-(1-methylpyrazol-4-yl)indazol-1-yl]ethanol;methyl 3-tert-butyl-1-methylindole-6-carboxylate (CID 158689929) is 5-tert-butyl-3-cyclopropyl-1-methylindazole;5-tert-butyl-1-methyl-3-(1-methylpyrazol-4-yl)indazole;2-tert-butyl-1-methyl-6-(1-methylpyrazol-4-yl)indole;1-tert-butyl-3-methyl-2-propan-2-ylindole;5-tert-butyl-3-(1-methylpyrazol-4-yl)-1H-indazole;2-[5-tert-butyl-3-(1-methylpyrazol-4-yl)indazol-1-yl]ethanol;methyl 3-tert-butyl-1-methylindole-6-carboxylate.
What is the SMILES notation for 5-tert-butyl-3-cyclopropyl-1-methylindazole;5-tert-butyl-1-methyl-3-(1-methylpyrazol-4-yl)indazole;2-tert-butyl-1-methyl-6-(1-methylpyrazol-4-yl)indole;1-tert-butyl-3-methyl-2-propan-2-ylindole;5-tert-butyl-3-(1-methylpyrazol-4-yl)-1H-indazole;2-[5-tert-butyl-3-(1-methylpyrazol-4-yl)indazol-1-yl]ethanol;methyl 3-tert-butyl-1-methylindole-6-carboxylate?
The canonical SMILES for 5-tert-butyl-3-cyclopropyl-1-methylindazole;5-tert-butyl-1-methyl-3-(1-methylpyrazol-4-yl)indazole;2-tert-butyl-1-methyl-6-(1-methylpyrazol-4-yl)indole;1-tert-butyl-3-methyl-2-propan-2-ylindole;5-tert-butyl-3-(1-methylpyrazol-4-yl)-1H-indazole;2-[5-tert-butyl-3-(1-methylpyrazol-4-yl)indazol-1-yl]ethanol;methyl 3-tert-butyl-1-methylindole-6-carboxylate is COC(=O)c1ccc2c(C(C)(C)C)cn(C)c2c1.Cc1c(C(C)C)n(C(C)(C)C)c2ccccc12.Cn1cc(-c2ccc3cc(C(C)(C)C)n(C)c3c2)cn1.Cn1cc(-c2n[nH]c3ccc(C(C)(C)C)cc23)cn1.Cn1cc(-c2nn(C)c3ccc(C(C)(C)C)cc23)cn1.Cn1cc(-c2nn(CCO)c3ccc(C(C)(C)C)cc23)cn1.Cn1nc(C2CC2)c2cc(C(C)(C)C)ccc21.
What is the InChIKey of 5-tert-butyl-3-cyclopropyl-1-methylindazole;5-tert-butyl-1-methyl-3-(1-methylpyrazol-4-yl)indazole;2-tert-butyl-1-methyl-6-(1-methylpyrazol-4-yl)indole;1-tert-butyl-3-methyl-2-propan-2-ylindole;5-tert-butyl-3-(1-methylpyrazol-4-yl)-1H-indazole;2-[5-tert-butyl-3-(1-methylpyrazol-4-yl)indazol-1-yl]ethanol;methyl 3-tert-butyl-1-methylindole-6-carboxylate?
The InChIKey is IGFFWXHOTKWFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O.C17H21N3.C16H20N4.C16H23N.C15H18N4.C15H20N2.C15H19NO2/c1-17(2,3)13-5-6-15-14(9-13)16(19-21(15)7-8-22)12-10-18-20(4)11-12;1-17(2,3)16-9-13-7-6-12(8-15(13)20(16)5)14-10-18-19(4)11-14;1-16(2,3)12-6-7-14-13(8-12)15(18-20(14)5)11-9-17-19(4)10-11;1-11(2)15-12(3)13-9-7-8-10-14(13)17(15)16(4,5)6;1-15(2,3)11-5-6-13-12(7-11)14(18-17-13)10-8-16-19(4)9-10;1-15(2,3)11-7-8-13-12(9-11)14(10-5-6-10)16-17(13)4;1-15(2,3)12-9-16(4)13-8-10(14(17)18-5)6-7-11(12)13/h5-6,9-11,22H,7-8H2,1-4H3;6-11H,1-5H3;6-10H,1-5H3;7-11H,1-6H3;5-9H,1-4H3,(H,17,18);7-10H,5-6H2,1-4H3;6-9H,1-5H3.
What are the key properties of 5-tert-butyl-3-cyclopropyl-1-methylindazole;5-tert-butyl-1-methyl-3-(1-methylpyrazol-4-yl)indazole;2-tert-butyl-1-methyl-6-(1-methylpyrazol-4-yl)indole;1-tert-butyl-3-methyl-2-propan-2-ylindole;5-tert-butyl-3-(1-methylpyrazol-4-yl)-1H-indazole;2-[5-tert-butyl-3-(1-methylpyrazol-4-yl)indazol-1-yl]ethanol;methyl 3-tert-butyl-1-methylindole-6-carboxylate?
5-tert-butyl-3-cyclopropyl-1-methylindazole;5-tert-butyl-1-methyl-3-(1-methylpyrazol-4-yl)indazole;2-tert-butyl-1-methyl-6-(1-methylpyrazol-4-yl)indole;1-tert-butyl-3-methyl-2-propan-2-ylindole;5-tert-butyl-3-(1-methylpyrazol-4-yl)-1H-indazole;2-[5-tert-butyl-3-(1-methylpyrazol-4-yl)indazol-1-yl]ethanol;methyl 3-tert-butyl-1-methylindole-6-carboxylate has a molecular weight of 1791.49 g/mol, XLogP of 24.97, 9 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-cyclopropyl-1-methylindazole;5-tert-butyl-1-methyl-3-(1-methylpyrazol-4-yl)indazole;2-tert-butyl-1-methyl-6-(1-methylpyrazol-4-yl)indole;1-tert-butyl-3-methyl-2-propan-2-ylindole;5-tert-butyl-3-(1-methylpyrazol-4-yl)-1H-indazole;2-[5-tert-butyl-3-(1-methylpyrazol-4-yl)indazol-1-yl]ethanol;methyl 3-tert-butyl-1-methylindole-6-carboxylate is sourced from PubChem (CID 158689929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).