2-[4-[4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]morpholin-2-yl]ethanol

C18H20BrN5O2 — CID 90027350

IUPAC2-[4-[4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]morpholin-2-yl]ethanol
SMILESOCCC1CN(c2ccc(Nc3nc(Br)cn4ccnc34)cc2)CCO1
InChIInChI=1S/C18H20BrN5O2/c19-16-12-24-7-6-20-18(24)17(22-16)21-13-1-3-14(4-2-13)23-8-10-26-15(11-23)5-9-25/h1-4,6-7,12,15,25H,5,8-11H2,(H,21,22)
InChIKeyNHIBKMUWQZFMQI-UHFFFAOYSA-N
MW418.30 g/mol
LogP2.82
Rot. Bonds5

About 2-[4-[4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]morpholin-2-yl]ethanol

2-[4-[4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]morpholin-2-yl]ethanol (PubChem CID 90027350) has the molecular formula C18H20BrN5O2 and a molecular weight of 418.30 g/mol. Its IUPAC name is 2-[4-[4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]morpholin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-[4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]morpholin-2-yl]ethanol
PubChem CID90027350
Molecular FormulaC18H20BrN5O2
Molecular Weight418.30 g/mol
Exact Mass417.08
IUPAC Name2-[4-[4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]morpholin-2-yl]ethanol
SMILESOCCC1CN(c2ccc(Nc3nc(Br)cn4ccnc34)cc2)CCO1
InChIInChI=1S/C18H20BrN5O2/c19-16-12-24-7-6-20-18(24)17(22-16)21-13-1-3-14(4-2-13)23-8-10-26-15(11-23)5-9-25/h1-4,6-7,12,15,25H,5,8-11H2,(H,21,22)
InChIKeyNHIBKMUWQZFMQI-UHFFFAOYSA-N
XLogP2.82
TPSA74.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.30
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

[4-[4-[[6-(6-amino-5-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]morpholin-2-yl]methanol
CID 118161077
[(2R)-4-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]morpholin-2-yl]methanol
CID 59473129
[(2S)-4-[4-[[6-(5H-cyclopenta[b]pyridin-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]morpholin-2-yl]methanol
CID 147088426
[(2R)-4-[4-[[6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]morpholin-2-yl]methanol
CID 157358038
(3S)-1-[4-(imidazo[1,2-a]pyrazin-8-ylamino)phenyl]pyrrolidin-3-ol
CID 141271458
6-(5-ethyl-3-pyridinyl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 147813694
N-(6-bromoimidazo[1,2-a]pyrazin-8-yl)morpholin-4-amine
CID 83023703
6-bromo-N-(4-butylphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 79953481
2-[1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperidin-4-yl]ethanol
CID 59473092
6-bromo-N-(4-fluoro-3-methylphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 79946448
(1S)-1-[4-[4-[[6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]morpholin-2-yl]ethanol
CID 90027767
[(2S)-4-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]morpholin-2-yl]methanol
CID 59473303

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]morpholin-2-yl]ethanol?
The IUPAC name of 2-[4-[4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]morpholin-2-yl]ethanol (CID 90027350) is 2-[4-[4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]morpholin-2-yl]ethanol.
What is the SMILES notation for 2-[4-[4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]morpholin-2-yl]ethanol?
The canonical SMILES for 2-[4-[4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]morpholin-2-yl]ethanol is OCCC1CN(c2ccc(Nc3nc(Br)cn4ccnc34)cc2)CCO1.
What is the InChIKey of 2-[4-[4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]morpholin-2-yl]ethanol?
The InChIKey is NHIBKMUWQZFMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN5O2/c19-16-12-24-7-6-20-18(24)17(22-16)21-13-1-3-14(4-2-13)23-8-10-26-15(11-23)5-9-25/h1-4,6-7,12,15,25H,5,8-11H2,(H,21,22).
What are the key properties of 2-[4-[4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]morpholin-2-yl]ethanol?
2-[4-[4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]morpholin-2-yl]ethanol has a molecular weight of 418.30 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]morpholin-2-yl]ethanol is sourced from PubChem (CID 90027350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).