[6-bromo-2-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]-[(5-bromopyrazin-2-yl)amino]methanol

C18H14Br2N6O2 — CID 87520103

IUPAC[6-bromo-2-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]-[(5-bromopyrazin-2-yl)amino]methanol
SMILESCOc1cccc(-c2nc3cnc(Br)cn3c2C(O)Nc2cnc(Br)cn2)c1
InChIInChI=1S/C18H14Br2N6O2/c1-28-11-4-2-3-10(5-11)16-17(26-9-13(20)22-8-15(26)25-16)18(27)24-14-7-21-12(19)6-23-14/h2-9,18,27H,1H3,(H,23,24)
InChIKeyKITGEMGLFPIYPB-UHFFFAOYSA-N
MW506.16 g/mol
LogP3.82
Rot. Bonds5

About [6-bromo-2-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]-[(5-bromopyrazin-2-yl)amino]methanol

[6-bromo-2-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]-[(5-bromopyrazin-2-yl)amino]methanol (PubChem CID 87520103) has the molecular formula C18H14Br2N6O2 and a molecular weight of 506.16 g/mol. Its IUPAC name is [6-bromo-2-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]-[(5-bromopyrazin-2-yl)amino]methanol.

Molecular Properties

Compound Name[6-bromo-2-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]-[(5-bromopyrazin-2-yl)amino]methanol
PubChem CID87520103
Molecular FormulaC18H14Br2N6O2
Molecular Weight506.16 g/mol
Exact Mass503.95
IUPAC Name[6-bromo-2-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]-[(5-bromopyrazin-2-yl)amino]methanol
SMILESCOc1cccc(-c2nc3cnc(Br)cn3c2C(O)Nc2cnc(Br)cn2)c1
InChIInChI=1S/C18H14Br2N6O2/c1-28-11-4-2-3-10(5-11)16-17(26-9-13(20)22-8-15(26)25-16)18(27)24-14-7-21-12(19)6-23-14/h2-9,18,27H,1H3,(H,23,24)
InChIKeyKITGEMGLFPIYPB-UHFFFAOYSA-N
XLogP3.82
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.16
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-2-(3-methoxyphenyl)imidazo[1,2-a]pyrazine
CID 86660860
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
6-bromo-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine
CID 63617918
2-amino-3-[6-bromo-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid
CID 170879863
2-(3-methoxyphenyl)-6-methylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 82530233
2-(3-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-amine
CID 55248194
N-(1,3-benzodioxol-5-yl)-6-bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-3-amine
CID 53211014
[2-(3-methoxyphenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanol
CID 46224159
N'-[4-(3-methoxyphenyl)-2-propan-2-ylpyrimidin-5-yl]propane-1,3-diamine
CID 117211775
1-bromo-3-(3-methoxyphenyl)imidazo[1,5-a]pyridin-6-ol
CID 117251332
2-bromo-6-[5-(3-methoxyphenyl)-2-pyridinyl]pyridine
CID 15326156
5-N-(2-aminoethyl)-4-(3-methoxyphenyl)pyrimidine-2,5-diamine
CID 117211103

Frequently Asked Questions

What is the IUPAC name of [6-bromo-2-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]-[(5-bromopyrazin-2-yl)amino]methanol?
The IUPAC name of [6-bromo-2-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]-[(5-bromopyrazin-2-yl)amino]methanol (CID 87520103) is [6-bromo-2-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]-[(5-bromopyrazin-2-yl)amino]methanol.
What is the SMILES notation for [6-bromo-2-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]-[(5-bromopyrazin-2-yl)amino]methanol?
The canonical SMILES for [6-bromo-2-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]-[(5-bromopyrazin-2-yl)amino]methanol is COc1cccc(-c2nc3cnc(Br)cn3c2C(O)Nc2cnc(Br)cn2)c1.
What is the InChIKey of [6-bromo-2-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]-[(5-bromopyrazin-2-yl)amino]methanol?
The InChIKey is KITGEMGLFPIYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Br2N6O2/c1-28-11-4-2-3-10(5-11)16-17(26-9-13(20)22-8-15(26)25-16)18(27)24-14-7-21-12(19)6-23-14/h2-9,18,27H,1H3,(H,23,24).
What are the key properties of [6-bromo-2-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]-[(5-bromopyrazin-2-yl)amino]methanol?
[6-bromo-2-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]-[(5-bromopyrazin-2-yl)amino]methanol has a molecular weight of 506.16 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-bromo-2-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]-[(5-bromopyrazin-2-yl)amino]methanol is sourced from PubChem (CID 87520103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).