methyl 3-(2-aminoethyl)-2-[(E)-2-(3-chloro-2-fluorophenyl)ethenyl]-6-methylimidazo[1,2-a]pyridine-7-carboxylate

C20H19ClFN3O2 — CID 129264219

IUPACmethyl 3-(2-aminoethyl)-2-[(E)-2-(3-chloro-2-fluorophenyl)ethenyl]-6-methylimidazo[1,2-a]pyridine-7-carboxylate
SMILESCOC(=O)c1cc2nc(/C=C/c3cccc(Cl)c3F)c(CCN)n2cc1C
InChIInChI=1S/C20H19ClFN3O2/c1-12-11-25-17(8-9-23)16(24-18(25)10-14(12)20(26)27-2)7-6-13-4-3-5-15(21)19(13)22/h3-7,10-11H,8-9,23H2,1-2H3/b7-6+
InChIKeyQIQDGTYZTRJZAR-VOTSOKGWSA-N
MW387.84 g/mol
LogP3.89
Rot. Bonds5

About methyl 3-(2-aminoethyl)-2-[(E)-2-(3-chloro-2-fluorophenyl)ethenyl]-6-methylimidazo[1,2-a]pyridine-7-carboxylate

methyl 3-(2-aminoethyl)-2-[(E)-2-(3-chloro-2-fluorophenyl)ethenyl]-6-methylimidazo[1,2-a]pyridine-7-carboxylate (PubChem CID 129264219) has the molecular formula C20H19ClFN3O2 and a molecular weight of 387.84 g/mol. Its IUPAC name is methyl 3-(2-aminoethyl)-2-[(E)-2-(3-chloro-2-fluorophenyl)ethenyl]-6-methylimidazo[1,2-a]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2-aminoethyl)-2-[(E)-2-(3-chloro-2-fluorophenyl)ethenyl]-6-methylimidazo[1,2-a]pyridine-7-carboxylate
PubChem CID129264219
Molecular FormulaC20H19ClFN3O2
Molecular Weight387.84 g/mol
Exact Mass387.11
IUPAC Namemethyl 3-(2-aminoethyl)-2-[(E)-2-(3-chloro-2-fluorophenyl)ethenyl]-6-methylimidazo[1,2-a]pyridine-7-carboxylate
SMILESCOC(=O)c1cc2nc(/C=C/c3cccc(Cl)c3F)c(CCN)n2cc1C
InChIInChI=1S/C20H19ClFN3O2/c1-12-11-25-17(8-9-23)16(24-18(25)10-14(12)20(26)27-2)7-6-13-4-3-5-15(21)19(13)22/h3-7,10-11H,8-9,23H2,1-2H3/b7-6+
InChIKeyQIQDGTYZTRJZAR-VOTSOKGWSA-N
XLogP3.89
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.84
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-aminoethyl)-2-[(E)-2-(3-chloro-2-fluorophenyl)ethenyl]-6-methylimidazo[1,2-a]pyridine-7-carboxylate?
The IUPAC name of methyl 3-(2-aminoethyl)-2-[(E)-2-(3-chloro-2-fluorophenyl)ethenyl]-6-methylimidazo[1,2-a]pyridine-7-carboxylate (CID 129264219) is methyl 3-(2-aminoethyl)-2-[(E)-2-(3-chloro-2-fluorophenyl)ethenyl]-6-methylimidazo[1,2-a]pyridine-7-carboxylate.
What is the SMILES notation for methyl 3-(2-aminoethyl)-2-[(E)-2-(3-chloro-2-fluorophenyl)ethenyl]-6-methylimidazo[1,2-a]pyridine-7-carboxylate?
The canonical SMILES for methyl 3-(2-aminoethyl)-2-[(E)-2-(3-chloro-2-fluorophenyl)ethenyl]-6-methylimidazo[1,2-a]pyridine-7-carboxylate is COC(=O)c1cc2nc(/C=C/c3cccc(Cl)c3F)c(CCN)n2cc1C.
What is the InChIKey of methyl 3-(2-aminoethyl)-2-[(E)-2-(3-chloro-2-fluorophenyl)ethenyl]-6-methylimidazo[1,2-a]pyridine-7-carboxylate?
The InChIKey is QIQDGTYZTRJZAR-VOTSOKGWSA-N. The full InChI is InChI=1S/C20H19ClFN3O2/c1-12-11-25-17(8-9-23)16(24-18(25)10-14(12)20(26)27-2)7-6-13-4-3-5-15(21)19(13)22/h3-7,10-11H,8-9,23H2,1-2H3/b7-6+.
What are the key properties of methyl 3-(2-aminoethyl)-2-[(E)-2-(3-chloro-2-fluorophenyl)ethenyl]-6-methylimidazo[1,2-a]pyridine-7-carboxylate?
methyl 3-(2-aminoethyl)-2-[(E)-2-(3-chloro-2-fluorophenyl)ethenyl]-6-methylimidazo[1,2-a]pyridine-7-carboxylate has a molecular weight of 387.84 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-aminoethyl)-2-[(E)-2-(3-chloro-2-fluorophenyl)ethenyl]-6-methylimidazo[1,2-a]pyridine-7-carboxylate is sourced from PubChem (CID 129264219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).