methyl 2-[[2-(4-methoxycarbonylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]benzoate

C22H18N4O4 — CID 77134897

IUPACmethyl 2-[[2-(4-methoxycarbonylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]benzoate
SMILESCOC(=O)c1ccc(-c2nc3cnccn3c2Nc2ccccc2C(=O)OC)cc1
InChIInChI=1S/C22H18N4O4/c1-29-21(27)15-9-7-14(8-10-15)19-20(26-12-11-23-13-18(26)25-19)24-17-6-4-3-5-16(17)22(28)30-2/h3-13,24H,1-2H3
InChIKeyJOGUUXLFVCWAEC-UHFFFAOYSA-N
MW402.41 g/mol
LogP3.71
Rot. Bonds5

About methyl 2-[[2-(4-methoxycarbonylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]benzoate

methyl 2-[[2-(4-methoxycarbonylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]benzoate (PubChem CID 77134897) has the molecular formula C22H18N4O4 and a molecular weight of 402.41 g/mol. Its IUPAC name is methyl 2-[[2-(4-methoxycarbonylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(4-methoxycarbonylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]benzoate
PubChem CID77134897
Molecular FormulaC22H18N4O4
Molecular Weight402.41 g/mol
Exact Mass402.13
IUPAC Namemethyl 2-[[2-(4-methoxycarbonylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]benzoate
SMILESCOC(=O)c1ccc(-c2nc3cnccn3c2Nc2ccccc2C(=O)OC)cc1
InChIInChI=1S/C22H18N4O4/c1-29-21(27)15-9-7-14(8-10-15)19-20(26-12-11-23-13-18(26)25-19)24-17-6-4-3-5-16(17)22(28)30-2/h3-13,24H,1-2H3
InChIKeyJOGUUXLFVCWAEC-UHFFFAOYSA-N
XLogP3.71
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 2-[[2-(4-methoxycarbonylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]benzoate with MolForge

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Related Compounds

methyl 4-[3-(4-ethoxycarbonylanilino)imidazo[1,2-a]pyrazin-2-yl]benzoate
CID 53207832
methyl 4-[3-(1,3-benzodioxol-5-ylamino)imidazo[1,2-a]pyrazin-2-yl]benzoate
CID 53003281
methyl 3-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]benzoate
CID 53207862
methyl 4-(3-anilinoimidazo[1,2-a]pyridin-2-yl)benzoate
CID 164601102
ethyl 4-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]benzoate
CID 175772540
N-(3-chloro-2-methylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-amine
CID 46778909
N-(3-chloro-2-methylphenyl)-2-phenylimidazo[1,2-a]pyrazin-3-amine
CID 53032460
3-[[2-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-methylbenzamide
CID 53207768
3-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzoic acid
CID 53207883
4-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]benzoic acid
CID 53003283
4-[3-(4-ethoxyanilino)imidazo[1,2-a]pyrazin-2-yl]benzoic acid
CID 53208276
3-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzamide
CID 53207762

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(4-methoxycarbonylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]benzoate?
The IUPAC name of methyl 2-[[2-(4-methoxycarbonylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]benzoate (CID 77134897) is methyl 2-[[2-(4-methoxycarbonylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-(4-methoxycarbonylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-(4-methoxycarbonylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]benzoate is COC(=O)c1ccc(-c2nc3cnccn3c2Nc2ccccc2C(=O)OC)cc1.
What is the InChIKey of methyl 2-[[2-(4-methoxycarbonylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]benzoate?
The InChIKey is JOGUUXLFVCWAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O4/c1-29-21(27)15-9-7-14(8-10-15)19-20(26-12-11-23-13-18(26)25-19)24-17-6-4-3-5-16(17)22(28)30-2/h3-13,24H,1-2H3.
What are the key properties of methyl 2-[[2-(4-methoxycarbonylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]benzoate?
methyl 2-[[2-(4-methoxycarbonylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]benzoate has a molecular weight of 402.41 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(4-methoxycarbonylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]benzoate is sourced from PubChem (CID 77134897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).