methyl 4-[8-(cyclopropylamino)imidazo[1,2-a]pyrazin-5-yl]oxy-3-methylbenzoate

C18H18N4O3 — CID 142727698

IUPACmethyl 4-[8-(cyclopropylamino)imidazo[1,2-a]pyrazin-5-yl]oxy-3-methylbenzoate
SMILESCOC(=O)c1ccc(Oc2cnc(NC3CC3)c3nccn23)c(C)c1
InChIInChI=1S/C18H18N4O3/c1-11-9-12(18(23)24-2)3-6-14(11)25-15-10-20-16(21-13-4-5-13)17-19-7-8-22(15)17/h3,6-10,13H,4-5H2,1-2H3,(H,20,21)
InChIKeyAQNLUGNXZWUWDK-UHFFFAOYSA-N
MW338.37 g/mol
LogP3.19
Rot. Bonds5

About methyl 4-[8-(cyclopropylamino)imidazo[1,2-a]pyrazin-5-yl]oxy-3-methylbenzoate

methyl 4-[8-(cyclopropylamino)imidazo[1,2-a]pyrazin-5-yl]oxy-3-methylbenzoate (PubChem CID 142727698) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is methyl 4-[8-(cyclopropylamino)imidazo[1,2-a]pyrazin-5-yl]oxy-3-methylbenzoate.

Molecular Properties

Compound Namemethyl 4-[8-(cyclopropylamino)imidazo[1,2-a]pyrazin-5-yl]oxy-3-methylbenzoate
PubChem CID142727698
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Namemethyl 4-[8-(cyclopropylamino)imidazo[1,2-a]pyrazin-5-yl]oxy-3-methylbenzoate
SMILESCOC(=O)c1ccc(Oc2cnc(NC3CC3)c3nccn23)c(C)c1
InChIInChI=1S/C18H18N4O3/c1-11-9-12(18(23)24-2)3-6-14(11)25-15-10-20-16(21-13-4-5-13)17-19-7-8-22(15)17/h3,6-10,13H,4-5H2,1-2H3,(H,20,21)
InChIKeyAQNLUGNXZWUWDK-UHFFFAOYSA-N
XLogP3.19
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 4-[8-(cyclopropylamino)imidazo[1,2-a]pyrazin-5-yl]oxy-3-methylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-[8-(cyclopropylamino)imidazo[1,2-a]pyrazin-5-yl]oxy-3-methylbenzoate?
The IUPAC name of methyl 4-[8-(cyclopropylamino)imidazo[1,2-a]pyrazin-5-yl]oxy-3-methylbenzoate (CID 142727698) is methyl 4-[8-(cyclopropylamino)imidazo[1,2-a]pyrazin-5-yl]oxy-3-methylbenzoate.
What is the SMILES notation for methyl 4-[8-(cyclopropylamino)imidazo[1,2-a]pyrazin-5-yl]oxy-3-methylbenzoate?
The canonical SMILES for methyl 4-[8-(cyclopropylamino)imidazo[1,2-a]pyrazin-5-yl]oxy-3-methylbenzoate is COC(=O)c1ccc(Oc2cnc(NC3CC3)c3nccn23)c(C)c1.
What is the InChIKey of methyl 4-[8-(cyclopropylamino)imidazo[1,2-a]pyrazin-5-yl]oxy-3-methylbenzoate?
The InChIKey is AQNLUGNXZWUWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-11-9-12(18(23)24-2)3-6-14(11)25-15-10-20-16(21-13-4-5-13)17-19-7-8-22(15)17/h3,6-10,13H,4-5H2,1-2H3,(H,20,21).
What are the key properties of methyl 4-[8-(cyclopropylamino)imidazo[1,2-a]pyrazin-5-yl]oxy-3-methylbenzoate?
methyl 4-[8-(cyclopropylamino)imidazo[1,2-a]pyrazin-5-yl]oxy-3-methylbenzoate has a molecular weight of 338.37 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[8-(cyclopropylamino)imidazo[1,2-a]pyrazin-5-yl]oxy-3-methylbenzoate is sourced from PubChem (CID 142727698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).