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

C19H17ClFN3O2 — CID 129264218

IUPACmethyl 3-(2-aminoethyl)-2-[(E)-2-(3-chloro-2-fluorophenyl)ethenyl]imidazo[1,2-a]pyridine-7-carboxylate
SMILESCOC(=O)c1ccn2c(CCN)c(/C=C/c3cccc(Cl)c3F)nc2c1
InChIInChI=1S/C19H17ClFN3O2/c1-26-19(25)13-8-10-24-16(7-9-22)15(23-17(24)11-13)6-5-12-3-2-4-14(20)18(12)21/h2-6,8,10-11H,7,9,22H2,1H3/b6-5+
InChIKeyYDNDHXFVKWAOPJ-AATRIKPKSA-N
MW373.82 g/mol
LogP3.59
Rot. Bonds5

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

methyl 3-(2-aminoethyl)-2-[(E)-2-(3-chloro-2-fluorophenyl)ethenyl]imidazo[1,2-a]pyridine-7-carboxylate (PubChem CID 129264218) has the molecular formula C19H17ClFN3O2 and a molecular weight of 373.82 g/mol. Its IUPAC name is methyl 3-(2-aminoethyl)-2-[(E)-2-(3-chloro-2-fluorophenyl)ethenyl]imidazo[1,2-a]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2-aminoethyl)-2-[(E)-2-(3-chloro-2-fluorophenyl)ethenyl]imidazo[1,2-a]pyridine-7-carboxylate
PubChem CID129264218
Molecular FormulaC19H17ClFN3O2
Molecular Weight373.82 g/mol
Exact Mass373.10
IUPAC Namemethyl 3-(2-aminoethyl)-2-[(E)-2-(3-chloro-2-fluorophenyl)ethenyl]imidazo[1,2-a]pyridine-7-carboxylate
SMILESCOC(=O)c1ccn2c(CCN)c(/C=C/c3cccc(Cl)c3F)nc2c1
InChIInChI=1S/C19H17ClFN3O2/c1-26-19(25)13-8-10-24-16(7-9-22)15(23-17(24)11-13)6-5-12-3-2-4-14(20)18(12)21/h2-6,8,10-11H,7,9,22H2,1H3/b6-5+
InChIKeyYDNDHXFVKWAOPJ-AATRIKPKSA-N
XLogP3.59
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.82
LogP ≤ 53.59
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]imidazo[1,2-a]pyridine-7-carboxylate?
The IUPAC name of methyl 3-(2-aminoethyl)-2-[(E)-2-(3-chloro-2-fluorophenyl)ethenyl]imidazo[1,2-a]pyridine-7-carboxylate (CID 129264218) is methyl 3-(2-aminoethyl)-2-[(E)-2-(3-chloro-2-fluorophenyl)ethenyl]imidazo[1,2-a]pyridine-7-carboxylate.
What is the SMILES notation for methyl 3-(2-aminoethyl)-2-[(E)-2-(3-chloro-2-fluorophenyl)ethenyl]imidazo[1,2-a]pyridine-7-carboxylate?
The canonical SMILES for methyl 3-(2-aminoethyl)-2-[(E)-2-(3-chloro-2-fluorophenyl)ethenyl]imidazo[1,2-a]pyridine-7-carboxylate is COC(=O)c1ccn2c(CCN)c(/C=C/c3cccc(Cl)c3F)nc2c1.
What is the InChIKey of methyl 3-(2-aminoethyl)-2-[(E)-2-(3-chloro-2-fluorophenyl)ethenyl]imidazo[1,2-a]pyridine-7-carboxylate?
The InChIKey is YDNDHXFVKWAOPJ-AATRIKPKSA-N. The full InChI is InChI=1S/C19H17ClFN3O2/c1-26-19(25)13-8-10-24-16(7-9-22)15(23-17(24)11-13)6-5-12-3-2-4-14(20)18(12)21/h2-6,8,10-11H,7,9,22H2,1H3/b6-5+.
What are the key properties of methyl 3-(2-aminoethyl)-2-[(E)-2-(3-chloro-2-fluorophenyl)ethenyl]imidazo[1,2-a]pyridine-7-carboxylate?
methyl 3-(2-aminoethyl)-2-[(E)-2-(3-chloro-2-fluorophenyl)ethenyl]imidazo[1,2-a]pyridine-7-carboxylate has a molecular weight of 373.82 g/mol, XLogP of 3.59, 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]imidazo[1,2-a]pyridine-7-carboxylate is sourced from PubChem (CID 129264218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).