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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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).