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

C46H31BrF8N8O4 — CID 158325446

IUPAC5-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
SMILESCn1ccc2c(C(=O)C(F)(F)F)c[nH]c2c1=O.Cn1ccc2c(C(O)(c3ccc4c(cnn4-c4ccc(F)cc4)c3)C(F)(F)F)c[nH]c2c1=O.Fc1ccc(-n2ncc3cc(Br)ccc32)cc1
InChIInChI=1S/C23H16F4N4O2.C13H8BrFN2.C10H7F3N2O2/c1-30-9-8-17-18(12-28-20(17)21(30)32)22(33,23(25,26)27)14-2-7-19-13(10-14)11-29-31(19)16-5-3-15(24)4-6-16;14-10-1-6-13-9(7-10)8-16-17(13)12-4-2-11(15)3-5-12;1-15-3-2-5-6(8(16)10(11,12)13)4-14-7(5)9(15)17/h2-12,28,33H,1H3;1-8H;2-4,14H,1H3
InChIKeyGPIRLGPQVBXBBU-UHFFFAOYSA-N
MW991.69 g/mol
LogP9.68
Rot. Bonds5

About 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

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 (PubChem CID 158325446) has the molecular formula C46H31BrF8N8O4 and a molecular weight of 991.69 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID158325446
Molecular FormulaC46H31BrF8N8O4
Molecular Weight991.69 g/mol
Exact Mass990.15
IUPAC Name5-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
SMILESCn1ccc2c(C(=O)C(F)(F)F)c[nH]c2c1=O.Cn1ccc2c(C(O)(c3ccc4c(cnn4-c4ccc(F)cc4)c3)C(F)(F)F)c[nH]c2c1=O.Fc1ccc(-n2ncc3cc(Br)ccc32)cc1
InChIInChI=1S/C23H16F4N4O2.C13H8BrFN2.C10H7F3N2O2/c1-30-9-8-17-18(12-28-20(17)21(30)32)22(33,23(25,26)27)14-2-7-19-13(10-14)11-29-31(19)16-5-3-15(24)4-6-16;14-10-1-6-13-9(7-10)8-16-17(13)12-4-2-11(15)3-5-12;1-15-3-2-5-6(8(16)10(11,12)13)4-14-7(5)9(15)17/h2-12,28,33H,1H3;1-8H;2-4,14H,1H3
InChIKeyGPIRLGPQVBXBBU-UHFFFAOYSA-N
XLogP9.68
TPSA148.52 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500991.69
LogP ≤ 59.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

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 59437198
lithium;5-bromo-1-(4-fluorophenyl)indazole;butane;1-(7-chloro-1H-pyrrolo[2,3-c]pyridin-3-yl)-2,2,2-trifluoroethanone;1-(7-chloro-1H-pyrrolo[2,3-c]pyridin-3-yl)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;oxolane
CID 158295138
1H-indole;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanone;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-indol-3-yl)ethanol
CID 159665060
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
lithium;potassium;5-bromo-1-(4-fluorophenyl)indazole;butane;4-chloro-5-prop-2-enylpyrrolo[3,2-d]pyrimidine;3-methyl-5-prop-2-enylpyrrolo[3,2-d]pyrimidin-4-one;3-methyl-5-prop-2-enyl-7-(2,2,2-trifluoroacetyl)pyrrolo[3,2-d]pyrimidin-4-one;3-methyl-5-prop-2-enyl-7-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[3,2-d]pyrimidin-4-one;oxolane;5-prop-2-enyl-3H-pyrrolo[3,2-d]pyrimidin-4-one;hydroxide
CID 161188973
1-(2,3-dihydroxypropyl)-6-methyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-c]pyridin-7-one;6-methyl-1-prop-2-enyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]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 161246233
lithium;sodium;5-bromo-1-(4-fluorophenyl)indazole;3-bromoprop-1-ene;butane;ethyl 1-prop-2-enylpyrrole-2-carboxylate;ethyl 1-prop-2-enyl-4-(2,2,2-trifluoroacetyl)pyrrole-2-carboxylate;ethyl 1-prop-2-enyl-4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrole-2-carboxylate;ethyl 1H-pyrrole-2-carboxylate;hydride;oxolane
CID 161337035
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
2-iodoacetamide;2-[6-methyl-7-oxo-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-c]pyridin-1-yl]acetamide;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 161901583
CID 172918297
CID 172918297
CID 172962856
CID 172962856

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cn1ccc2c(C(=O)C(F)(F)F)c[nH]c2c1=O.Cn1ccc2c(C(O)(c3ccc4c(cnn4-c4ccc(F)cc4)c3)C(F)(F)F)c[nH]c2c1=O.Fc1ccc(-n2ncc3cc(Br)ccc32)cc1.
What is the InChIKey of 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?
The InChIKey is GPIRLGPQVBXBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F4N4O2.C13H8BrFN2.C10H7F3N2O2/c1-30-9-8-17-18(12-28-20(17)21(30)32)22(33,23(25,26)27)14-2-7-19-13(10-14)11-29-31(19)16-5-3-15(24)4-6-16;14-10-1-6-13-9(7-10)8-16-17(13)12-4-2-11(15)3-5-12;1-15-3-2-5-6(8(16)10(11,12)13)4-14-7(5)9(15)17/h2-12,28,33H,1H3;1-8H;2-4,14H,1H3.
What are the key properties of 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?
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 has a molecular weight of 991.69 g/mol, XLogP of 9.68, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158325446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).