6-bromo-8-fluoro-2-[7-fluoro-6-(methoxymethoxy)-2-methylindazol-5-yl]quinoxaline

C18H13BrF2N4O2 — CID 168978555

IUPAC6-bromo-8-fluoro-2-[7-fluoro-6-(methoxymethoxy)-2-methylindazol-5-yl]quinoxaline
SMILESCOCOc1c(-c2cnc3cc(Br)cc(F)c3n2)cc2cn(C)nc2c1F
InChIInChI=1S/C18H13BrF2N4O2/c1-25-7-9-3-11(18(27-8-26-2)15(21)16(9)24-25)14-6-22-13-5-10(19)4-12(20)17(13)23-14/h3-7H,8H2,1-2H3
InChIKeyVGCPKHVTPRMETK-UHFFFAOYSA-N
MW435.23 g/mol
LogP4.21
Rot. Bonds4

About 6-bromo-8-fluoro-2-[7-fluoro-6-(methoxymethoxy)-2-methylindazol-5-yl]quinoxaline

6-bromo-8-fluoro-2-[7-fluoro-6-(methoxymethoxy)-2-methylindazol-5-yl]quinoxaline (PubChem CID 168978555) has the molecular formula C18H13BrF2N4O2 and a molecular weight of 435.23 g/mol. Its IUPAC name is 6-bromo-8-fluoro-2-[7-fluoro-6-(methoxymethoxy)-2-methylindazol-5-yl]quinoxaline.

Molecular Properties

Compound Name6-bromo-8-fluoro-2-[7-fluoro-6-(methoxymethoxy)-2-methylindazol-5-yl]quinoxaline
PubChem CID168978555
Molecular FormulaC18H13BrF2N4O2
Molecular Weight435.23 g/mol
Exact Mass434.02
IUPAC Name6-bromo-8-fluoro-2-[7-fluoro-6-(methoxymethoxy)-2-methylindazol-5-yl]quinoxaline
SMILESCOCOc1c(-c2cnc3cc(Br)cc(F)c3n2)cc2cn(C)nc2c1F
InChIInChI=1S/C18H13BrF2N4O2/c1-25-7-9-3-11(18(27-8-26-2)15(21)16(9)24-25)14-6-22-13-5-10(19)4-12(20)17(13)23-14/h3-7H,8H2,1-2H3
InChIKeyVGCPKHVTPRMETK-UHFFFAOYSA-N
XLogP4.21
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.23
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (2S,6R)-4-[7-[7-fluoro-6-(methoxymethoxy)-2-methylindazol-5-yl]-1,8-naphthyridin-3-yl]-2,6-dimethylpiperazine-1-carboxylate
CID 168978921
5-ethyl-7-fluoro-6-methoxy-2-methylindazole
CID 167501474
5-bromo-1-fluoro-3-methoxy-2-(methoxymethoxy)benzene
CID 164894429
tert-butyl (2S,6S)-4-[8-fluoro-2-[6-(methoxymethoxy)-2,7-dimethylindazol-5-yl]quinolin-6-yl]-2,6-dimethylpiperazine-1-carboxylate
CID 168978237
tert-butyl 7-[8-fluoro-2-[6-(methoxymethoxy)-2,7-dimethylindazol-5-yl]quinolin-6-yl]-4,7-diazaspiro[2.5]octane-4-carboxylate
CID 168977836
5-bromo-6-(ethoxymethoxy)-2,7-dimethylindazole
CID 178050969
N-tert-butyl-1-[6-[6-(methoxymethoxy)-2,7-dimethylindazol-5-yl]-1,5-naphthyridin-2-yl]pyrrolidin-3-amine
CID 162433469
tert-butyl (2S,6R)-4-[6-[6-(methoxymethoxy)-2,7-dimethylindazol-5-yl]pyrido[2,3-b]pyrazin-2-yl]-2,6-dimethylpiperazine-1-carboxylate
CID 168978776
4-azaspiro[2.5]octane;7-fluoro-2-methyl-5-quinoxalin-2-ylindazol-6-ol
CID 168978633
7-bromo-6-fluoro-2-methylindazol-5-amine
CID 171792771
2-chloro-6-(6-methoxy-2,7-dimethylindazol-5-yl)-1,7-naphthyridine
CID 168977705
5-[6-[2-(cyclobutylamino)ethylamino]quinoxalin-2-yl]-2,7-dimethylindazol-6-ol
CID 168978374

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-fluoro-2-[7-fluoro-6-(methoxymethoxy)-2-methylindazol-5-yl]quinoxaline?
The IUPAC name of 6-bromo-8-fluoro-2-[7-fluoro-6-(methoxymethoxy)-2-methylindazol-5-yl]quinoxaline (CID 168978555) is 6-bromo-8-fluoro-2-[7-fluoro-6-(methoxymethoxy)-2-methylindazol-5-yl]quinoxaline.
What is the SMILES notation for 6-bromo-8-fluoro-2-[7-fluoro-6-(methoxymethoxy)-2-methylindazol-5-yl]quinoxaline?
The canonical SMILES for 6-bromo-8-fluoro-2-[7-fluoro-6-(methoxymethoxy)-2-methylindazol-5-yl]quinoxaline is COCOc1c(-c2cnc3cc(Br)cc(F)c3n2)cc2cn(C)nc2c1F.
What is the InChIKey of 6-bromo-8-fluoro-2-[7-fluoro-6-(methoxymethoxy)-2-methylindazol-5-yl]quinoxaline?
The InChIKey is VGCPKHVTPRMETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrF2N4O2/c1-25-7-9-3-11(18(27-8-26-2)15(21)16(9)24-25)14-6-22-13-5-10(19)4-12(20)17(13)23-14/h3-7H,8H2,1-2H3.
What are the key properties of 6-bromo-8-fluoro-2-[7-fluoro-6-(methoxymethoxy)-2-methylindazol-5-yl]quinoxaline?
6-bromo-8-fluoro-2-[7-fluoro-6-(methoxymethoxy)-2-methylindazol-5-yl]quinoxaline has a molecular weight of 435.23 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-fluoro-2-[7-fluoro-6-(methoxymethoxy)-2-methylindazol-5-yl]quinoxaline is sourced from PubChem (CID 168978555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).