methyl 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate

C21H16FN3O2 — CID 90095985

IUPACmethyl 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate
SMILESCOC(=O)c1cnc2ccc(-c3cccnc3-c3ccc(F)c(C)c3)cn12
InChIInChI=1S/C21H16FN3O2/c1-13-10-14(5-7-17(13)22)20-16(4-3-9-23-20)15-6-8-19-24-11-18(21(26)27-2)25(19)12-15/h3-12H,1-2H3
InChIKeyOPAHOWSYOZEWMV-UHFFFAOYSA-N
MW361.38 g/mol
LogP4.30
Rot. Bonds3

About methyl 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate

methyl 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 90095985) has the molecular formula C21H16FN3O2 and a molecular weight of 361.38 g/mol. Its IUPAC name is methyl 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate
PubChem CID90095985
Molecular FormulaC21H16FN3O2
Molecular Weight361.38 g/mol
Exact Mass361.12
IUPAC Namemethyl 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate
SMILESCOC(=O)c1cnc2ccc(-c3cccnc3-c3ccc(F)c(C)c3)cn12
InChIInChI=1S/C21H16FN3O2/c1-13-10-14(5-7-17(13)22)20-16(4-3-9-23-20)15-6-8-19-24-11-18(21(26)27-2)25(19)12-15/h3-12H,1-2H3
InChIKeyOPAHOWSYOZEWMV-UHFFFAOYSA-N
XLogP4.30
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-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 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate (CID 90095985) is methyl 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate is COC(=O)c1cnc2ccc(-c3cccnc3-c3ccc(F)c(C)c3)cn12.
What is the InChIKey of methyl 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is OPAHOWSYOZEWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O2/c1-13-10-14(5-7-17(13)22)20-16(4-3-9-23-20)15-6-8-19-24-11-18(21(26)27-2)25(19)12-15/h3-12H,1-2H3.
What are the key properties of methyl 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate?
methyl 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 361.38 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 90095985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).