5-bromo-1H-indazole;5-bromo-1-pyridin-3-ylindazole;2-iodoacetamide;pyridin-3-ylboronic acid;2-[3-[2,2,2-trifluoro-1-hydroxy-1-(1-pyridin-3-ylindazol-5-yl)ethyl]indol-1-yl]acetamide;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone;2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-pyridin-3-ylindazol-5-yl)ethanol

C82H62BBr2F9IN17O7 — CID 160786731

IUPAC5-bromo-1H-indazole;5-bromo-1-pyridin-3-ylindazole;2-iodoacetamide;pyridin-3-ylboronic acid;2-[3-[2,2,2-trifluoro-1-hydroxy-1-(1-pyridin-3-ylindazol-5-yl)ethyl]indol-1-yl]acetamide;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone;2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-pyridin-3-ylindazol-5-yl)ethanol
SMILESBrc1ccc2[nH]ncc2c1.Brc1ccc2c(cnn2-c2cccnc2)c1.NC(=O)CI.NC(=O)Cn1cc(C(O)(c2ccc3c(cnn3-c3cccnc3)c2)C(F)(F)F)c2ccccc21.O=C(c1c[nH]c2ccccc12)C(F)(F)F.OB(O)c1cccnc1.OC(c1ccc2c(cnn2-c2cccnc2)c1)(c1c[nH]c2ccccc12)C(F)(F)F
InChIInChI=1S/C24H18F3N5O2.C22H15F3N4O.C12H8BrN3.C10H6F3NO.C7H5BrN2.C5H6BNO2.C2H4INO/c25-24(26,27)23(34,19-13-31(14-22(28)33)21-6-2-1-5-18(19)21)16-7-8-20-15(10-16)11-30-32(20)17-4-3-9-29-12-17;23-22(24,25)21(30,18-13-27-19-6-2-1-5-17(18)19)15-7-8-20-14(10-15)11-28-29(20)16-4-3-9-26-12-16;13-10-3-4-12-9(6-10)7-15-16(12)11-2-1-5-14-8-11;11-10(12,13)9(15)7-5-14-8-4-2-1-3-6(7)8;8-6-1-2-7-5(3-6)4-9-10-7;8-6(9)5-2-1-3-7-4-5;3-1-2(4)5/h1-13,34H,14H2,(H2,28,33);1-13,27,30H;1-8H;1-5,14H;1-4H,(H,9,10);1-4,8-9H;1H2,(H2,4,5)
InChIKeySBHPSUQULITMKE-UHFFFAOYSA-N
MW1866.02 g/mol
LogP15.45
Rot. Bonds12

About 5-bromo-1H-indazole;5-bromo-1-pyridin-3-ylindazole;2-iodoacetamide;pyridin-3-ylboronic acid;2-[3-[2,2,2-trifluoro-1-hydroxy-1-(1-pyridin-3-ylindazol-5-yl)ethyl]indol-1-yl]acetamide;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone;2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-pyridin-3-ylindazol-5-yl)ethanol

5-bromo-1H-indazole;5-bromo-1-pyridin-3-ylindazole;2-iodoacetamide;pyridin-3-ylboronic acid;2-[3-[2,2,2-trifluoro-1-hydroxy-1-(1-pyridin-3-ylindazol-5-yl)ethyl]indol-1-yl]acetamide;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone;2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-pyridin-3-ylindazol-5-yl)ethanol (PubChem CID 160786731) has the molecular formula C82H62BBr2F9IN17O7 and a molecular weight of 1866.02 g/mol. Its IUPAC name is 5-bromo-1H-indazole;5-bromo-1-pyridin-3-ylindazole;2-iodoacetamide;pyridin-3-ylboronic acid;2-[3-[2,2,2-trifluoro-1-hydroxy-1-(1-pyridin-3-ylindazol-5-yl)ethyl]indol-1-yl]acetamide;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone;2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-pyridin-3-ylindazol-5-yl)ethanol.

Molecular Properties

Compound Name5-bromo-1H-indazole;5-bromo-1-pyridin-3-ylindazole;2-iodoacetamide;pyridin-3-ylboronic acid;2-[3-[2,2,2-trifluoro-1-hydroxy-1-(1-pyridin-3-ylindazol-5-yl)ethyl]indol-1-yl]acetamide;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone;2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-pyridin-3-ylindazol-5-yl)ethanol
PubChem CID160786731
Molecular FormulaC82H62BBr2F9IN17O7
Molecular Weight1866.02 g/mol
Exact Mass1863.24
IUPAC Name5-bromo-1H-indazole;5-bromo-1-pyridin-3-ylindazole;2-iodoacetamide;pyridin-3-ylboronic acid;2-[3-[2,2,2-trifluoro-1-hydroxy-1-(1-pyridin-3-ylindazol-5-yl)ethyl]indol-1-yl]acetamide;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone;2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-pyridin-3-ylindazol-5-yl)ethanol
SMILESBrc1ccc2[nH]ncc2c1.Brc1ccc2c(cnn2-c2cccnc2)c1.NC(=O)CI.NC(=O)Cn1cc(C(O)(c2ccc3c(cnn3-c3cccnc3)c2)C(F)(F)F)c2ccccc21.O=C(c1c[nH]c2ccccc12)C(F)(F)F.OB(O)c1cccnc1.OC(c1ccc2c(cnn2-c2cccnc2)c1)(c1c[nH]c2ccccc12)C(F)(F)F
InChIInChI=1S/C24H18F3N5O2.C22H15F3N4O.C12H8BrN3.C10H6F3NO.C7H5BrN2.C5H6BNO2.C2H4INO/c25-24(26,27)23(34,19-13-31(14-22(28)33)21-6-2-1-5-18(19)21)16-7-8-20-15(10-16)11-30-32(20)17-4-3-9-29-12-17;23-22(24,25)21(30,18-13-27-19-6-2-1-5-17(18)19)15-7-8-20-14(10-15)11-28-29(20)16-4-3-9-26-12-16;13-10-3-4-12-9(6-10)7-15-16(12)11-2-1-5-14-8-11;11-10(12,13)9(15)7-5-14-8-4-2-1-3-6(7)8;8-6-1-2-7-5(3-6)4-9-10-7;8-6(9)5-2-1-3-7-4-5;3-1-2(4)5/h1-13,34H,14H2,(H2,28,33);1-13,27,30H;1-8H;1-5,14H;1-4H,(H,9,10);1-4,8-9H;1H2,(H2,4,5)
InChIKeySBHPSUQULITMKE-UHFFFAOYSA-N
XLogP15.45
TPSA354.38 Ų
H-Bond Donors9
H-Bond Acceptors19
Rotatable Bonds12
Heavy Atoms119
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001866.02
LogP ≤ 515.45
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 5-bromo-1H-indazole;5-bromo-1-pyridin-3-ylindazole;2-iodoacetamide;pyridin-3-ylboronic acid;2-[3-[2,2,2-trifluoro-1-hydroxy-1-(1-pyridin-3-ylindazol-5-yl)ethyl]indol-1-yl]acetamide;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone;2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-pyridin-3-ylindazol-5-yl)ethanol with MolForge

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Related Compounds

copper;lithium;5-bromo-1H-indazole;butane;carbanide;bis(carbon dioxide);3-(1,3,2-dioxaborinan-2-yl)pyridine;ethoxyethane;2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-methylindol-3-yl)ethanol;2,2,2-trifluoro-1-(1-methylindol-3-yl)ethanone;2,2,2-trifluoro-1-(1-methylindol-3-yl)-1-(1-pyridin-3-ylindazol-5-yl)ethanol
CID 157643240
5-bromo-1-(4-fluorophenyl)indazole;6-methyl-3-(2,2,2-trifluoroacetyl)-1H-pyrrolo[2,3-c]pyridin-7-one;6-methyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]-1H-pyrrolo[2,3-c]pyridin-7-one
CID 158325446
lithium;sodium;5-bromo-1-(4-fluorophenyl)indazole;6-bromo-1H-indole;3-bromoprop-1-ene;6-bromo-1-prop-2-enylindole;1-(6-bromo-1-prop-2-enylindol-3-yl)-2,2,2-trifluoroethanone;1-(6-bromo-1-prop-2-enylindol-3-yl)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;butane;hydride;oxolane
CID 161411305
sodium;5-bromo-1-(4-fluorophenyl)indazole;3-bromoprop-1-ene;hydride;1H-indole;1-prop-2-enylindole;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1-prop-2-enylindol-3-yl)ethanol;bis(2,2,2-trifluoro-1-(1-prop-2-enylindol-3-yl)ethanone)
CID 161803125
CID 172918297
CID 172918297
CID 172962856
CID 172962856
5-[5-(aminomethyl)-3-pyridinyl]-N-[5-(3-ethylphenyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(aminomethyl)-3-pyridinyl]-N-[5-(3-propylphenyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-bromo-1-(oxan-2-yl)indazole-3-carboxylic acid;5-bromo-1-(oxan-2-yl)-N-[5-(3-propylphenyl)-3-pyridinyl]indazole-3-carboxamide;tert-butyl 3-[5-[1-(oxan-2-yl)-3-[[5-(3-propylphenyl)-3-pyridinyl]carbamoyl]indazol-5-yl]-3-pyridinyl]propanoate;tert-butyl 3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]propanoate;pentakis(carbon dioxide);2,2-diiodopropane;ethane;4,8,19,22,25,26-hexazahexacyclo[22.5.2.12,6.112,16.117,21.027,31]tetratriaconta-1(30),2,4,6(34),12(33),13,15,17(32),18,20,24,27(31),28-tridecaene-9,23-dione;2-iodopropane;methane;propane;5-(3-propylphenyl)pyridin-3-amine;1,2,2-triiodopropane;triiodovanadium;bis(vanadium)
CID 157335266
5-bromo-1H-indazole-3-carboxylic acid;5-bromo-N-pyridin-3-yl-1H-indazole-3-carboxamide;ethane;(5-fluoro-3-pyridinyl)boronic acid;5-(5-fluoro-3-pyridinyl)-N-pyridin-3-yl-1H-indazole-3-carboxamide;2-iodo-2-methylpropane;methane;2-methylpropane;propane;pyridin-3-amine;tris(vanadium)
CID 157409353
5-bromo-2-fluorobenzoic acid;5-bromo-2-fluoro-N,N-dimethylbenzamide;(5-bromo-2-fluorophenyl)-(1H-pyrrol-2-yl)methanone;5-bromo-3-(1H-pyrrol-2-yl)-1H-indazole;5-pyridin-3-yl-3-(1H-pyrrol-2-yl)-1H-indazole
CID 158151177
5-bromo-1H-indazole-3-carboxylic acid;5-bromo-N-pyridin-3-yl-1H-indazole-3-carboxamide;ethane;(5-fluoro-3-pyridinyl)boronic acid;5-(5-fluoro-3-pyridinyl)-N-pyridin-3-yl-1H-indazole-3-carboxamide;2-iodo-2-methylpropane;2-methylpropane;propane;pyridin-3-amine;tris(vanadium)
CID 158825539
5-bromo-1H-indazole-3-carboxylic acid;5-bromo-N-pyridin-3-yl-1H-indazole-3-carboxamide;(5-fluoro-3-pyridinyl)boronic acid;5-(5-fluoro-3-pyridinyl)-N-pyridin-3-yl-1H-indazole-3-carboxamide;2-iodo-2-methylpropane;methane;2-methylpropane;pyridin-3-amine;vanadium
CID 159467286
5-bromo-1H-indazole-3-carboxylic acid;5-bromo-N-pyridin-3-yl-1H-indole-3-carboxamide;(5-fluoro-3-pyridinyl)boronic acid;5-(5-fluoro-3-pyridinyl)-N-pyridin-3-yl-1H-indazole-3-carboxamide;2-iodo-2-methylpropane;2-methylpropane;pyridin-3-amine;vanadium
CID 159487595

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1H-indazole;5-bromo-1-pyridin-3-ylindazole;2-iodoacetamide;pyridin-3-ylboronic acid;2-[3-[2,2,2-trifluoro-1-hydroxy-1-(1-pyridin-3-ylindazol-5-yl)ethyl]indol-1-yl]acetamide;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone;2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-pyridin-3-ylindazol-5-yl)ethanol?
The IUPAC name of 5-bromo-1H-indazole;5-bromo-1-pyridin-3-ylindazole;2-iodoacetamide;pyridin-3-ylboronic acid;2-[3-[2,2,2-trifluoro-1-hydroxy-1-(1-pyridin-3-ylindazol-5-yl)ethyl]indol-1-yl]acetamide;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone;2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-pyridin-3-ylindazol-5-yl)ethanol (CID 160786731) is 5-bromo-1H-indazole;5-bromo-1-pyridin-3-ylindazole;2-iodoacetamide;pyridin-3-ylboronic acid;2-[3-[2,2,2-trifluoro-1-hydroxy-1-(1-pyridin-3-ylindazol-5-yl)ethyl]indol-1-yl]acetamide;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone;2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-pyridin-3-ylindazol-5-yl)ethanol.
What is the SMILES notation for 5-bromo-1H-indazole;5-bromo-1-pyridin-3-ylindazole;2-iodoacetamide;pyridin-3-ylboronic acid;2-[3-[2,2,2-trifluoro-1-hydroxy-1-(1-pyridin-3-ylindazol-5-yl)ethyl]indol-1-yl]acetamide;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone;2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-pyridin-3-ylindazol-5-yl)ethanol?
The canonical SMILES for 5-bromo-1H-indazole;5-bromo-1-pyridin-3-ylindazole;2-iodoacetamide;pyridin-3-ylboronic acid;2-[3-[2,2,2-trifluoro-1-hydroxy-1-(1-pyridin-3-ylindazol-5-yl)ethyl]indol-1-yl]acetamide;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone;2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-pyridin-3-ylindazol-5-yl)ethanol is Brc1ccc2[nH]ncc2c1.Brc1ccc2c(cnn2-c2cccnc2)c1.NC(=O)CI.NC(=O)Cn1cc(C(O)(c2ccc3c(cnn3-c3cccnc3)c2)C(F)(F)F)c2ccccc21.O=C(c1c[nH]c2ccccc12)C(F)(F)F.OB(O)c1cccnc1.OC(c1ccc2c(cnn2-c2cccnc2)c1)(c1c[nH]c2ccccc12)C(F)(F)F.
What is the InChIKey of 5-bromo-1H-indazole;5-bromo-1-pyridin-3-ylindazole;2-iodoacetamide;pyridin-3-ylboronic acid;2-[3-[2,2,2-trifluoro-1-hydroxy-1-(1-pyridin-3-ylindazol-5-yl)ethyl]indol-1-yl]acetamide;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone;2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-pyridin-3-ylindazol-5-yl)ethanol?
The InChIKey is SBHPSUQULITMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N5O2.C22H15F3N4O.C12H8BrN3.C10H6F3NO.C7H5BrN2.C5H6BNO2.C2H4INO/c25-24(26,27)23(34,19-13-31(14-22(28)33)21-6-2-1-5-18(19)21)16-7-8-20-15(10-16)11-30-32(20)17-4-3-9-29-12-17;23-22(24,25)21(30,18-13-27-19-6-2-1-5-17(18)19)15-7-8-20-14(10-15)11-28-29(20)16-4-3-9-26-12-16;13-10-3-4-12-9(6-10)7-15-16(12)11-2-1-5-14-8-11;11-10(12,13)9(15)7-5-14-8-4-2-1-3-6(7)8;8-6-1-2-7-5(3-6)4-9-10-7;8-6(9)5-2-1-3-7-4-5;3-1-2(4)5/h1-13,34H,14H2,(H2,28,33);1-13,27,30H;1-8H;1-5,14H;1-4H,(H,9,10);1-4,8-9H;1H2,(H2,4,5).
What are the key properties of 5-bromo-1H-indazole;5-bromo-1-pyridin-3-ylindazole;2-iodoacetamide;pyridin-3-ylboronic acid;2-[3-[2,2,2-trifluoro-1-hydroxy-1-(1-pyridin-3-ylindazol-5-yl)ethyl]indol-1-yl]acetamide;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone;2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-pyridin-3-ylindazol-5-yl)ethanol?
5-bromo-1H-indazole;5-bromo-1-pyridin-3-ylindazole;2-iodoacetamide;pyridin-3-ylboronic acid;2-[3-[2,2,2-trifluoro-1-hydroxy-1-(1-pyridin-3-ylindazol-5-yl)ethyl]indol-1-yl]acetamide;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone;2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-pyridin-3-ylindazol-5-yl)ethanol has a molecular weight of 1866.02 g/mol, XLogP of 15.45, 12 rotatable bonds, 9 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1H-indazole;5-bromo-1-pyridin-3-ylindazole;2-iodoacetamide;pyridin-3-ylboronic acid;2-[3-[2,2,2-trifluoro-1-hydroxy-1-(1-pyridin-3-ylindazol-5-yl)ethyl]indol-1-yl]acetamide;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone;2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-pyridin-3-ylindazol-5-yl)ethanol is sourced from PubChem (CID 160786731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).