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

C22H21N5O2 — CID 53207862

IUPACmethyl 3-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]benzoate
SMILESCOC(=O)c1cccc(Nc2c(-c3ccc(N(C)C)cc3)nc3cnccn23)c1
InChIInChI=1S/C22H21N5O2/c1-26(2)18-9-7-15(8-10-18)20-21(27-12-11-23-14-19(27)25-20)24-17-6-4-5-16(13-17)22(28)29-3/h4-14,24H,1-3H3
InChIKeyNOSHVIBEFWGQJF-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.99
Rot. Bonds5

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

methyl 3-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]benzoate (PubChem CID 53207862) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is methyl 3-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]benzoate
PubChem CID53207862
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Namemethyl 3-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]benzoate
SMILESCOC(=O)c1cccc(Nc2c(-c3ccc(N(C)C)cc3)nc3cnccn23)c1
InChIInChI=1S/C22H21N5O2/c1-26(2)18-9-7-15(8-10-18)20-21(27-12-11-23-14-19(27)25-20)24-17-6-4-5-16(13-17)22(28)29-3/h4-14,24H,1-3H3
InChIKeyNOSHVIBEFWGQJF-UHFFFAOYSA-N
XLogP3.99
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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

Launch Full Analysis

Related Compounds

3-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]benzoic acid
CID 53003286
4-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]benzoic acid
CID 53003283
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
methyl 4-[3-(1,3-benzodioxol-5-ylamino)imidazo[1,2-a]pyrazin-2-yl]benzoate
CID 53003281
methyl 4-[3-(4-ethoxycarbonylanilino)imidazo[1,2-a]pyrazin-2-yl]benzoate
CID 53207832
N-(1,3-benzodioxol-5-yl)-2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-amine
CID 7299187
methyl 2-[[2-(4-methoxycarbonylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]benzoate
CID 77134897
methyl 3-[[3-[4-(dimethylamino)anilino]-1,2,4-triazin-5-yl]amino]benzoate
CID 112968667
methyl 4-(3-anilinoimidazo[1,2-a]pyridin-2-yl)benzoate
CID 164601102
3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-(furan-2-ylmethyl)benzamide
CID 53207803
N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-3-amine
CID 5306720

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]benzoate?
The IUPAC name of methyl 3-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]benzoate (CID 53207862) is methyl 3-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]benzoate.
What is the SMILES notation for methyl 3-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]benzoate?
The canonical SMILES for methyl 3-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]benzoate is COC(=O)c1cccc(Nc2c(-c3ccc(N(C)C)cc3)nc3cnccn23)c1.
What is the InChIKey of methyl 3-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]benzoate?
The InChIKey is NOSHVIBEFWGQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-26(2)18-9-7-15(8-10-18)20-21(27-12-11-23-14-19(27)25-20)24-17-6-4-5-16(13-17)22(28)29-3/h4-14,24H,1-3H3.
What are the key properties of methyl 3-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]benzoate?
methyl 3-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]benzoate has a molecular weight of 387.44 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]benzoate is sourced from PubChem (CID 53207862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).