1-bromo-2,4-difluorobenzene;1-(5-bromo-2,4-difluorophenyl)ethanone;5-bromo-6-fluoro-1,3-dimethylindazole;5-bromo-6-fluoro-3-methyl-2H-indazole;1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-fluorophenyl]piperazine;6-fluoro-1,3-dimethyl-5-piperazin-1-ylindazole

C60H60Br4F8N12O — CID 159762799

IUPAC1-bromo-2,4-difluorobenzene;1-(5-bromo-2,4-difluorophenyl)ethanone;5-bromo-6-fluoro-1,3-dimethylindazole;5-bromo-6-fluoro-3-methyl-2H-indazole;1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-fluorophenyl]piperazine;6-fluoro-1,3-dimethyl-5-piperazin-1-ylindazole
SMILESCC(=O)c1cc(Br)c(F)cc1F.Cc1[nH]nc2cc(F)c(Br)cc12.Cc1cc(C)n(Cc2ccc(F)c(N3CCNCC3)c2)n1.Cc1nn(C)c2cc(F)c(Br)cc12.Cc1nn(C)c2cc(F)c(N3CCNCC3)cc12.Fc1ccc(Br)c(F)c1
InChIInChI=1S/C16H21FN4.C13H17FN4.C9H8BrFN2.C8H5BrF2O.C8H6BrFN2.C6H3BrF2/c1-12-9-13(2)21(19-12)11-14-3-4-15(17)16(10-14)20-7-5-18-6-8-20;1-9-10-7-13(18-5-3-15-4-6-18)11(14)8-12(10)17(2)16-9;1-5-6-3-7(10)8(11)4-9(6)13(2)12-5;1-4(12)5-2-6(9)8(11)3-7(5)10;1-4-5-2-6(9)7(10)3-8(5)12-11-4;7-5-2-1-4(8)3-6(5)9/h3-4,9-10,18H,5-8,11H2,1-2H3;7-8,15H,3-6H2,1-2H3;3-4H,1-2H3;2-3H,1H3;2-3H,1H3,(H,11,12);1-3H
InChIKeyNFCKVGZFFAVZAX-UHFFFAOYSA-N
MW1436.82 g/mol
LogP14.74
Rot. Bonds5

About 1-bromo-2,4-difluorobenzene;1-(5-bromo-2,4-difluorophenyl)ethanone;5-bromo-6-fluoro-1,3-dimethylindazole;5-bromo-6-fluoro-3-methyl-2H-indazole;1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-fluorophenyl]piperazine;6-fluoro-1,3-dimethyl-5-piperazin-1-ylindazole

1-bromo-2,4-difluorobenzene;1-(5-bromo-2,4-difluorophenyl)ethanone;5-bromo-6-fluoro-1,3-dimethylindazole;5-bromo-6-fluoro-3-methyl-2H-indazole;1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-fluorophenyl]piperazine;6-fluoro-1,3-dimethyl-5-piperazin-1-ylindazole (PubChem CID 159762799) has the molecular formula C60H60Br4F8N12O and a molecular weight of 1436.82 g/mol. Its IUPAC name is 1-bromo-2,4-difluorobenzene;1-(5-bromo-2,4-difluorophenyl)ethanone;5-bromo-6-fluoro-1,3-dimethylindazole;5-bromo-6-fluoro-3-methyl-2H-indazole;1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-fluorophenyl]piperazine;6-fluoro-1,3-dimethyl-5-piperazin-1-ylindazole.

Molecular Properties

Compound Name1-bromo-2,4-difluorobenzene;1-(5-bromo-2,4-difluorophenyl)ethanone;5-bromo-6-fluoro-1,3-dimethylindazole;5-bromo-6-fluoro-3-methyl-2H-indazole;1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-fluorophenyl]piperazine;6-fluoro-1,3-dimethyl-5-piperazin-1-ylindazole
PubChem CID159762799
Molecular FormulaC60H60Br4F8N12O
Molecular Weight1436.82 g/mol
Exact Mass1432.16
IUPAC Name1-bromo-2,4-difluorobenzene;1-(5-bromo-2,4-difluorophenyl)ethanone;5-bromo-6-fluoro-1,3-dimethylindazole;5-bromo-6-fluoro-3-methyl-2H-indazole;1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-fluorophenyl]piperazine;6-fluoro-1,3-dimethyl-5-piperazin-1-ylindazole
SMILESCC(=O)c1cc(Br)c(F)cc1F.Cc1[nH]nc2cc(F)c(Br)cc12.Cc1cc(C)n(Cc2ccc(F)c(N3CCNCC3)c2)n1.Cc1nn(C)c2cc(F)c(Br)cc12.Cc1nn(C)c2cc(F)c(N3CCNCC3)cc12.Fc1ccc(Br)c(F)c1
InChIInChI=1S/C16H21FN4.C13H17FN4.C9H8BrFN2.C8H5BrF2O.C8H6BrFN2.C6H3BrF2/c1-12-9-13(2)21(19-12)11-14-3-4-15(17)16(10-14)20-7-5-18-6-8-20;1-9-10-7-13(18-5-3-15-4-6-18)11(14)8-12(10)17(2)16-9;1-5-6-3-7(10)8(11)4-9(6)13(2)12-5;1-4(12)5-2-6(9)8(11)3-7(5)10;1-4-5-2-6(9)7(10)3-8(5)12-11-4;7-5-2-1-4(8)3-6(5)9/h3-4,9-10,18H,5-8,11H2,1-2H3;7-8,15H,3-6H2,1-2H3;3-4H,1-2H3;2-3H,1H3;2-3H,1H3,(H,11,12);1-3H
InChIKeyNFCKVGZFFAVZAX-UHFFFAOYSA-N
XLogP14.74
TPSA129.75 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001436.82
LogP ≤ 514.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 1-bromo-2,4-difluorobenzene;1-(5-bromo-2,4-difluorophenyl)ethanone;5-bromo-6-fluoro-1,3-dimethylindazole;5-bromo-6-fluoro-3-methyl-2H-indazole;1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-fluorophenyl]piperazine;6-fluoro-1,3-dimethyl-5-piperazin-1-ylindazole with MolForge

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Related Compounds

5-bromo-1-[(4-fluorophenyl)methyl]indazole;5-bromo-1H-indazole;1-(bromomethyl)-4-fluorobenzene;2,2-difluoro-N-[(3S)-2-(4-fluorophenyl)-1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-2-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide;methanamine
CID 157643562
5-bromo-1-[(3-fluorophenyl)methyl]indazole;5-bromo-1H-indazole;1-(bromomethyl)-3-fluorobenzene;2,2-difluoro-N-[(3S)-2-(4-fluorophenyl)-1-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-2-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide;methanamine
CID 159438673
5-bromo-2-(2,6-difluorophenyl)-3-methyl-1H-indole;(4-bromophenyl)hydrazine;2-(2,6-difluorophenyl)-3-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole;1-(2,6-difluorophenyl)propan-1-one;[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]boronic acid
CID 159883627
5-bromo-1-[(2-fluorophenyl)methyl]indazole;5-bromo-1H-indazole;1-(bromomethyl)-2-fluorobenzene;2,2-difluoro-N-[(3S)-2-(4-fluorophenyl)-1-[1-[(2-fluorophenyl)methyl]indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-2-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide;methanamine
CID 161385486
5-bromo-1-[(4-fluorophenyl)methyl]indazole;5-bromo-1H-indazole;1-(bromomethyl)-4-fluorobenzene;2,2-difluoro-N-[(2R,3S)-2-(4-fluorophenyl)-1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-2-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide;methanamine
CID 164966710
5-bromo-1-[(3-fluorophenyl)methyl]indazole;5-bromo-1H-indazole;1-(bromomethyl)-3-fluorobenzene;2,2-difluoro-N-[(2R,3S)-2-(4-fluorophenyl)-1-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-2-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide;methanamine
CID 165024774
5-bromo-1-[(2-fluorophenyl)methyl]indazole;5-bromo-1H-indazole;1-(bromomethyl)-2-fluorobenzene;2,2-difluoro-N-[(2R,3S)-2-(4-fluorophenyl)-1-[1-[(2-fluorophenyl)methyl]indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-2-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide;methanamine
CID 165084806
4-bromo-N-[(E)-1-(2,6-difluorophenyl)ethylideneamino]aniline;5-bromo-2-(2,6-difluorophenyl)-1H-indole;(4-bromophenyl)hydrazine;1-(2,6-difluorophenyl)ethanone;2-(2,6-difluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole
CID 172954773
5-bromo-6-fluoro-3-methyl-2H-indazole;2-[(5-bromo-6-fluoro-3-methylindazol-1-yl)methoxy]ethyl-trimethylsilane;6-fluoro-3-methyl-5-piperazin-1-yl-2H-indazole;2-[(6-fluoro-3-methyl-5-piperazin-1-ylindazol-1-yl)methoxy]ethyl-trimethylsilane
CID 161095874
1-(3-bromo-4-fluorophenyl)ethanone;5-(3-bromo-4-fluorophenyl)-1-methylpyrazole;3-(3-bromo-4-fluorophenyl)-3-oxopropanal;5-(3-bromo-4-fluorophenyl)-1H-pyrazole;1-[2-fluoro-5-(2-methylpyrazol-3-yl)phenyl]piperazine
CID 161402093
5-bromo-2,3-difluorobenzaldehyde;1-(5-bromo-2,3-difluorophenyl)-N-methoxymethanimine;5-bromo-7-fluoro-1H-indazole;5-bromo-7-fluoro-2-methylindazole;7-fluoro-2-methylindazol-5-amine;N-(7-fluoro-2-methylindazol-5-yl)-1,1-diphenylmethanimine;hydrochloride
CID 168398394

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2,4-difluorobenzene;1-(5-bromo-2,4-difluorophenyl)ethanone;5-bromo-6-fluoro-1,3-dimethylindazole;5-bromo-6-fluoro-3-methyl-2H-indazole;1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-fluorophenyl]piperazine;6-fluoro-1,3-dimethyl-5-piperazin-1-ylindazole?
The IUPAC name of 1-bromo-2,4-difluorobenzene;1-(5-bromo-2,4-difluorophenyl)ethanone;5-bromo-6-fluoro-1,3-dimethylindazole;5-bromo-6-fluoro-3-methyl-2H-indazole;1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-fluorophenyl]piperazine;6-fluoro-1,3-dimethyl-5-piperazin-1-ylindazole (CID 159762799) is 1-bromo-2,4-difluorobenzene;1-(5-bromo-2,4-difluorophenyl)ethanone;5-bromo-6-fluoro-1,3-dimethylindazole;5-bromo-6-fluoro-3-methyl-2H-indazole;1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-fluorophenyl]piperazine;6-fluoro-1,3-dimethyl-5-piperazin-1-ylindazole.
What is the SMILES notation for 1-bromo-2,4-difluorobenzene;1-(5-bromo-2,4-difluorophenyl)ethanone;5-bromo-6-fluoro-1,3-dimethylindazole;5-bromo-6-fluoro-3-methyl-2H-indazole;1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-fluorophenyl]piperazine;6-fluoro-1,3-dimethyl-5-piperazin-1-ylindazole?
The canonical SMILES for 1-bromo-2,4-difluorobenzene;1-(5-bromo-2,4-difluorophenyl)ethanone;5-bromo-6-fluoro-1,3-dimethylindazole;5-bromo-6-fluoro-3-methyl-2H-indazole;1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-fluorophenyl]piperazine;6-fluoro-1,3-dimethyl-5-piperazin-1-ylindazole is CC(=O)c1cc(Br)c(F)cc1F.Cc1[nH]nc2cc(F)c(Br)cc12.Cc1cc(C)n(Cc2ccc(F)c(N3CCNCC3)c2)n1.Cc1nn(C)c2cc(F)c(Br)cc12.Cc1nn(C)c2cc(F)c(N3CCNCC3)cc12.Fc1ccc(Br)c(F)c1.
What is the InChIKey of 1-bromo-2,4-difluorobenzene;1-(5-bromo-2,4-difluorophenyl)ethanone;5-bromo-6-fluoro-1,3-dimethylindazole;5-bromo-6-fluoro-3-methyl-2H-indazole;1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-fluorophenyl]piperazine;6-fluoro-1,3-dimethyl-5-piperazin-1-ylindazole?
The InChIKey is NFCKVGZFFAVZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4.C13H17FN4.C9H8BrFN2.C8H5BrF2O.C8H6BrFN2.C6H3BrF2/c1-12-9-13(2)21(19-12)11-14-3-4-15(17)16(10-14)20-7-5-18-6-8-20;1-9-10-7-13(18-5-3-15-4-6-18)11(14)8-12(10)17(2)16-9;1-5-6-3-7(10)8(11)4-9(6)13(2)12-5;1-4(12)5-2-6(9)8(11)3-7(5)10;1-4-5-2-6(9)7(10)3-8(5)12-11-4;7-5-2-1-4(8)3-6(5)9/h3-4,9-10,18H,5-8,11H2,1-2H3;7-8,15H,3-6H2,1-2H3;3-4H,1-2H3;2-3H,1H3;2-3H,1H3,(H,11,12);1-3H.
What are the key properties of 1-bromo-2,4-difluorobenzene;1-(5-bromo-2,4-difluorophenyl)ethanone;5-bromo-6-fluoro-1,3-dimethylindazole;5-bromo-6-fluoro-3-methyl-2H-indazole;1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-fluorophenyl]piperazine;6-fluoro-1,3-dimethyl-5-piperazin-1-ylindazole?
1-bromo-2,4-difluorobenzene;1-(5-bromo-2,4-difluorophenyl)ethanone;5-bromo-6-fluoro-1,3-dimethylindazole;5-bromo-6-fluoro-3-methyl-2H-indazole;1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-fluorophenyl]piperazine;6-fluoro-1,3-dimethyl-5-piperazin-1-ylindazole has a molecular weight of 1436.82 g/mol, XLogP of 14.74, 5 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2,4-difluorobenzene;1-(5-bromo-2,4-difluorophenyl)ethanone;5-bromo-6-fluoro-1,3-dimethylindazole;5-bromo-6-fluoro-3-methyl-2H-indazole;1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-fluorophenyl]piperazine;6-fluoro-1,3-dimethyl-5-piperazin-1-ylindazole is sourced from PubChem (CID 159762799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).