methyl 3-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate

C22H19FN6O3 — CID 122510425

IUPACmethyl 3-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate
SMILESCOC(=O)N1CCn2c(nc(-c3ccc(F)cc3)c2-c2ccc3ncc(C(N)=O)n3c2)C1
InChIInChI=1S/C22H19FN6O3/c1-32-22(31)27-8-9-28-18(12-27)26-19(13-2-5-15(23)6-3-13)20(28)14-4-7-17-25-10-16(21(24)30)29(17)11-14/h2-7,10-11H,8-9,12H2,1H3,(H2,24,30)
InChIKeyZRINUMCLUXPCSS-UHFFFAOYSA-N
MW434.43 g/mol
LogP2.68
Rot. Bonds3

About methyl 3-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate

methyl 3-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate (PubChem CID 122510425) has the molecular formula C22H19FN6O3 and a molecular weight of 434.43 g/mol. Its IUPAC name is methyl 3-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate
PubChem CID122510425
Molecular FormulaC22H19FN6O3
Molecular Weight434.43 g/mol
Exact Mass434.15
IUPAC Namemethyl 3-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate
SMILESCOC(=O)N1CCn2c(nc(-c3ccc(F)cc3)c2-c2ccc3ncc(C(N)=O)n3c2)C1
InChIInChI=1S/C22H19FN6O3/c1-32-22(31)27-8-9-28-18(12-27)26-19(13-2-5-15(23)6-3-13)20(28)14-4-7-17-25-10-16(21(24)30)29(17)11-14/h2-7,10-11H,8-9,12H2,1H3,(H2,24,30)
InChIKeyZRINUMCLUXPCSS-UHFFFAOYSA-N
XLogP2.68
TPSA107.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.43
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 3-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate 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 3-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate?
The IUPAC name of methyl 3-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate (CID 122510425) is methyl 3-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate.
What is the SMILES notation for methyl 3-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate?
The canonical SMILES for methyl 3-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate is COC(=O)N1CCn2c(nc(-c3ccc(F)cc3)c2-c2ccc3ncc(C(N)=O)n3c2)C1.
What is the InChIKey of methyl 3-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate?
The InChIKey is ZRINUMCLUXPCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6O3/c1-32-22(31)27-8-9-28-18(12-27)26-19(13-2-5-15(23)6-3-13)20(28)14-4-7-17-25-10-16(21(24)30)29(17)11-14/h2-7,10-11H,8-9,12H2,1H3,(H2,24,30).
What are the key properties of methyl 3-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate?
methyl 3-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate has a molecular weight of 434.43 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate is sourced from PubChem (CID 122510425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).