2-methoxy-4-[3-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-2-yl]phenol

C21H20N4O3 — CID 135674311

IUPAC2-methoxy-4-[3-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-2-yl]phenol
SMILESCOc1ccc(CNc2c(-c3ccc(O)c(OC)c3)nc3cnccn23)cc1
InChIInChI=1S/C21H20N4O3/c1-27-16-6-3-14(4-7-16)12-23-21-20(24-19-13-22-9-10-25(19)21)15-5-8-17(26)18(11-15)28-2/h3-11,13,23,26H,12H2,1-2H3
InChIKeyMLQZYMZDXWALLG-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.73
Rot. Bonds6

About 2-methoxy-4-[3-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-2-yl]phenol

2-methoxy-4-[3-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-2-yl]phenol (PubChem CID 135674311) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 2-methoxy-4-[3-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-2-yl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[3-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-2-yl]phenol
PubChem CID135674311
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name2-methoxy-4-[3-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-2-yl]phenol
SMILESCOc1ccc(CNc2c(-c3ccc(O)c(OC)c3)nc3cnccn23)cc1
InChIInChI=1S/C21H20N4O3/c1-27-16-6-3-14(4-7-16)12-23-21-20(24-19-13-22-9-10-25(19)21)15-5-8-17(26)18(11-15)28-2/h3-11,13,23,26H,12H2,1-2H3
InChIKeyMLQZYMZDXWALLG-UHFFFAOYSA-N
XLogP3.73
TPSA80.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[3-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-2-yl]phenol?
The IUPAC name of 2-methoxy-4-[3-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-2-yl]phenol (CID 135674311) is 2-methoxy-4-[3-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-2-yl]phenol.
What is the SMILES notation for 2-methoxy-4-[3-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-2-yl]phenol?
The canonical SMILES for 2-methoxy-4-[3-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-2-yl]phenol is COc1ccc(CNc2c(-c3ccc(O)c(OC)c3)nc3cnccn23)cc1.
What is the InChIKey of 2-methoxy-4-[3-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-2-yl]phenol?
The InChIKey is MLQZYMZDXWALLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-27-16-6-3-14(4-7-16)12-23-21-20(24-19-13-22-9-10-25(19)21)15-5-8-17(26)18(11-15)28-2/h3-11,13,23,26H,12H2,1-2H3.
What are the key properties of 2-methoxy-4-[3-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-2-yl]phenol?
2-methoxy-4-[3-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-2-yl]phenol has a molecular weight of 376.42 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[3-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-2-yl]phenol is sourced from PubChem (CID 135674311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).