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

C23H20N4O4 — CID 53207832

IUPACmethyl 4-[3-(4-ethoxycarbonylanilino)imidazo[1,2-a]pyrazin-2-yl]benzoate
SMILESCCOC(=O)c1ccc(Nc2c(-c3ccc(C(=O)OC)cc3)nc3cnccn23)cc1
InChIInChI=1S/C23H20N4O4/c1-3-31-23(29)17-8-10-18(11-9-17)25-21-20(26-19-14-24-12-13-27(19)21)15-4-6-16(7-5-15)22(28)30-2/h4-14,25H,3H2,1-2H3
InChIKeyNBURXLMHTGWCJE-UHFFFAOYSA-N
MW416.44 g/mol
LogP4.10
Rot. Bonds6

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

methyl 4-[3-(4-ethoxycarbonylanilino)imidazo[1,2-a]pyrazin-2-yl]benzoate (PubChem CID 53207832) has the molecular formula C23H20N4O4 and a molecular weight of 416.44 g/mol. Its IUPAC name is methyl 4-[3-(4-ethoxycarbonylanilino)imidazo[1,2-a]pyrazin-2-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[3-(4-ethoxycarbonylanilino)imidazo[1,2-a]pyrazin-2-yl]benzoate
PubChem CID53207832
Molecular FormulaC23H20N4O4
Molecular Weight416.44 g/mol
Exact Mass416.15
IUPAC Namemethyl 4-[3-(4-ethoxycarbonylanilino)imidazo[1,2-a]pyrazin-2-yl]benzoate
SMILESCCOC(=O)c1ccc(Nc2c(-c3ccc(C(=O)OC)cc3)nc3cnccn23)cc1
InChIInChI=1S/C23H20N4O4/c1-3-31-23(29)17-8-10-18(11-9-17)25-21-20(26-19-14-24-12-13-27(19)21)15-4-6-16(7-5-15)22(28)30-2/h4-14,25H,3H2,1-2H3
InChIKeyNBURXLMHTGWCJE-UHFFFAOYSA-N
XLogP4.10
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

ethyl 4-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]benzoate
CID 175772540
4-[3-(4-ethoxyanilino)imidazo[1,2-a]pyrazin-2-yl]benzoic acid
CID 53208276
methyl 4-[3-(1,3-benzodioxol-5-ylamino)imidazo[1,2-a]pyrazin-2-yl]benzoate
CID 53003281
methyl 2-[[2-(4-methoxycarbonylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]benzoate
CID 77134897
2-(4-methoxyphenyl)-N-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-amine
CID 7064838
4-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]benzoic acid
CID 53003283
[4-[[2-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]phenyl]-piperidin-1-ylmethanone
CID 53207752
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
N-(3,5-dimethylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-amine
CID 53032470
ethyl 4-[(2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]benzoate
CID 50847843
3-[[2-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-methylbenzamide
CID 53207768

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-(4-ethoxycarbonylanilino)imidazo[1,2-a]pyrazin-2-yl]benzoate?
The IUPAC name of methyl 4-[3-(4-ethoxycarbonylanilino)imidazo[1,2-a]pyrazin-2-yl]benzoate (CID 53207832) is methyl 4-[3-(4-ethoxycarbonylanilino)imidazo[1,2-a]pyrazin-2-yl]benzoate.
What is the SMILES notation for methyl 4-[3-(4-ethoxycarbonylanilino)imidazo[1,2-a]pyrazin-2-yl]benzoate?
The canonical SMILES for methyl 4-[3-(4-ethoxycarbonylanilino)imidazo[1,2-a]pyrazin-2-yl]benzoate is CCOC(=O)c1ccc(Nc2c(-c3ccc(C(=O)OC)cc3)nc3cnccn23)cc1.
What is the InChIKey of methyl 4-[3-(4-ethoxycarbonylanilino)imidazo[1,2-a]pyrazin-2-yl]benzoate?
The InChIKey is NBURXLMHTGWCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4/c1-3-31-23(29)17-8-10-18(11-9-17)25-21-20(26-19-14-24-12-13-27(19)21)15-4-6-16(7-5-15)22(28)30-2/h4-14,25H,3H2,1-2H3.
What are the key properties of methyl 4-[3-(4-ethoxycarbonylanilino)imidazo[1,2-a]pyrazin-2-yl]benzoate?
methyl 4-[3-(4-ethoxycarbonylanilino)imidazo[1,2-a]pyrazin-2-yl]benzoate has a molecular weight of 416.44 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-(4-ethoxycarbonylanilino)imidazo[1,2-a]pyrazin-2-yl]benzoate is sourced from PubChem (CID 53207832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).