5-[6-[2-(cyclobutylamino)ethylamino]quinoxalin-2-yl]-2,7-dimethylindazol-6-ol

C23H26N6O — CID 168978374

IUPAC5-[6-[2-(cyclobutylamino)ethylamino]quinoxalin-2-yl]-2,7-dimethylindazol-6-ol
SMILESCc1c(O)c(-c2cnc3cc(NCCNC4CCC4)ccc3n2)cc2cn(C)nc12
InChIInChI=1S/C23H26N6O/c1-14-22-15(13-29(2)28-22)10-18(23(14)30)21-12-26-20-11-17(6-7-19(20)27-21)25-9-8-24-16-4-3-5-16/h6-7,10-13,16,24-25,30H,3-5,8-9H2,1-2H3
InChIKeyLSBZZJSSTINZHI-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.75
Rot. Bonds6

About 5-[6-[2-(cyclobutylamino)ethylamino]quinoxalin-2-yl]-2,7-dimethylindazol-6-ol

5-[6-[2-(cyclobutylamino)ethylamino]quinoxalin-2-yl]-2,7-dimethylindazol-6-ol (PubChem CID 168978374) has the molecular formula C23H26N6O and a molecular weight of 402.50 g/mol. Its IUPAC name is 5-[6-[2-(cyclobutylamino)ethylamino]quinoxalin-2-yl]-2,7-dimethylindazol-6-ol.

Molecular Properties

Compound Name5-[6-[2-(cyclobutylamino)ethylamino]quinoxalin-2-yl]-2,7-dimethylindazol-6-ol
PubChem CID168978374
Molecular FormulaC23H26N6O
Molecular Weight402.50 g/mol
Exact Mass402.22
IUPAC Name5-[6-[2-(cyclobutylamino)ethylamino]quinoxalin-2-yl]-2,7-dimethylindazol-6-ol
SMILESCc1c(O)c(-c2cnc3cc(NCCNC4CCC4)ccc3n2)cc2cn(C)nc12
InChIInChI=1S/C23H26N6O/c1-14-22-15(13-29(2)28-22)10-18(23(14)30)21-12-26-20-11-17(6-7-19(20)27-21)25-9-8-24-16-4-3-5-16/h6-7,10-13,16,24-25,30H,3-5,8-9H2,1-2H3
InChIKeyLSBZZJSSTINZHI-UHFFFAOYSA-N
XLogP3.75
TPSA87.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-[6-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol
CID 162433576
2,7-dimethyl-5-[6-[3-(oxetan-3-ylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]indazol-6-ol
CID 168977496
2,7-dimethyl-5-(6-pyrrolidin-1-yl-1,8-naphthyridin-2-yl)indazol-6-ol
CID 168978796
4-azaspiro[2.5]octane;7-fluoro-2-methyl-5-quinoxalin-2-ylindazol-6-ol
CID 168978633
5-[2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-2,7-dimethylindazol-6-ol
CID 168978828
sodium;2,7-dimethyl-5-(6-pyrrolidin-1-yl-1,8-naphthyridin-2-yl)indazol-6-ol;ethane
CID 168978795
5-[8-chloro-2-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-2,7-dimethylindazol-6-ol
CID 168978277
cyclobutane;7-fluoro-2-methyl-5-(6-pyrrolidin-1-yl-1,5-naphthyridin-2-yl)indazol-6-ol;methanamine
CID 168977767
N-tert-butyl-1-[6-[6-(methoxymethoxy)-2,7-dimethylindazol-5-yl]-1,5-naphthyridin-2-yl]pyrrolidin-3-amine
CID 162433469
tert-butyl 4-[5-(6-hydroxy-2,7-dimethylindazol-5-yl)triazolo[4,5-b]pyridin-2-yl]piperidine-1-carboxylate
CID 168902295
2,7-dimethyl-5-[6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrido[2,3-d]pyrimidin-2-yl]indazol-6-ol;hydrochloride
CID 168978903
7-fluoro-5-[6-(3-hydroxypiperidin-4-yl)-1,5-naphthyridin-2-yl]-2-methylindazol-6-ol
CID 168976923

Frequently Asked Questions

What is the IUPAC name of 5-[6-[2-(cyclobutylamino)ethylamino]quinoxalin-2-yl]-2,7-dimethylindazol-6-ol?
The IUPAC name of 5-[6-[2-(cyclobutylamino)ethylamino]quinoxalin-2-yl]-2,7-dimethylindazol-6-ol (CID 168978374) is 5-[6-[2-(cyclobutylamino)ethylamino]quinoxalin-2-yl]-2,7-dimethylindazol-6-ol.
What is the SMILES notation for 5-[6-[2-(cyclobutylamino)ethylamino]quinoxalin-2-yl]-2,7-dimethylindazol-6-ol?
The canonical SMILES for 5-[6-[2-(cyclobutylamino)ethylamino]quinoxalin-2-yl]-2,7-dimethylindazol-6-ol is Cc1c(O)c(-c2cnc3cc(NCCNC4CCC4)ccc3n2)cc2cn(C)nc12.
What is the InChIKey of 5-[6-[2-(cyclobutylamino)ethylamino]quinoxalin-2-yl]-2,7-dimethylindazol-6-ol?
The InChIKey is LSBZZJSSTINZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O/c1-14-22-15(13-29(2)28-22)10-18(23(14)30)21-12-26-20-11-17(6-7-19(20)27-21)25-9-8-24-16-4-3-5-16/h6-7,10-13,16,24-25,30H,3-5,8-9H2,1-2H3.
What are the key properties of 5-[6-[2-(cyclobutylamino)ethylamino]quinoxalin-2-yl]-2,7-dimethylindazol-6-ol?
5-[6-[2-(cyclobutylamino)ethylamino]quinoxalin-2-yl]-2,7-dimethylindazol-6-ol has a molecular weight of 402.50 g/mol, XLogP of 3.75, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[2-(cyclobutylamino)ethylamino]quinoxalin-2-yl]-2,7-dimethylindazol-6-ol is sourced from PubChem (CID 168978374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).