methyl 3-amino-2-(4-chlorophenyl)imidazo[1,2-a]pyridine-7-carboxylate

C15H12ClN3O2 — CID 143687595

IUPACmethyl 3-amino-2-(4-chlorophenyl)imidazo[1,2-a]pyridine-7-carboxylate
SMILESCOC(=O)c1ccn2c(N)c(-c3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C15H12ClN3O2/c1-21-15(20)10-6-7-19-12(8-10)18-13(14(19)17)9-2-4-11(16)5-3-9/h2-8H,17H2,1H3
InChIKeyQCQNOMTVGIJXDV-UHFFFAOYSA-N
MW301.73 g/mol
LogP3.02
Rot. Bonds2

About methyl 3-amino-2-(4-chlorophenyl)imidazo[1,2-a]pyridine-7-carboxylate

methyl 3-amino-2-(4-chlorophenyl)imidazo[1,2-a]pyridine-7-carboxylate (PubChem CID 143687595) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is methyl 3-amino-2-(4-chlorophenyl)imidazo[1,2-a]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-2-(4-chlorophenyl)imidazo[1,2-a]pyridine-7-carboxylate
PubChem CID143687595
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC Namemethyl 3-amino-2-(4-chlorophenyl)imidazo[1,2-a]pyridine-7-carboxylate
SMILESCOC(=O)c1ccn2c(N)c(-c3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C15H12ClN3O2/c1-21-15(20)10-6-7-19-12(8-10)18-13(14(19)17)9-2-4-11(16)5-3-9/h2-8H,17H2,1H3
InChIKeyQCQNOMTVGIJXDV-UHFFFAOYSA-N
XLogP3.02
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-2-(4-chlorophenyl)imidazo[1,2-a]pyridine-7-carboxylate?
The IUPAC name of methyl 3-amino-2-(4-chlorophenyl)imidazo[1,2-a]pyridine-7-carboxylate (CID 143687595) is methyl 3-amino-2-(4-chlorophenyl)imidazo[1,2-a]pyridine-7-carboxylate.
What is the SMILES notation for methyl 3-amino-2-(4-chlorophenyl)imidazo[1,2-a]pyridine-7-carboxylate?
The canonical SMILES for methyl 3-amino-2-(4-chlorophenyl)imidazo[1,2-a]pyridine-7-carboxylate is COC(=O)c1ccn2c(N)c(-c3ccc(Cl)cc3)nc2c1.
What is the InChIKey of methyl 3-amino-2-(4-chlorophenyl)imidazo[1,2-a]pyridine-7-carboxylate?
The InChIKey is QCQNOMTVGIJXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c1-21-15(20)10-6-7-19-12(8-10)18-13(14(19)17)9-2-4-11(16)5-3-9/h2-8H,17H2,1H3.
What are the key properties of methyl 3-amino-2-(4-chlorophenyl)imidazo[1,2-a]pyridine-7-carboxylate?
methyl 3-amino-2-(4-chlorophenyl)imidazo[1,2-a]pyridine-7-carboxylate has a molecular weight of 301.73 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-2-(4-chlorophenyl)imidazo[1,2-a]pyridine-7-carboxylate is sourced from PubChem (CID 143687595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).