methyl 3-benzyl-1-chloroimidazo[1,5-a]pyridine-7-carboxylate

C16H13ClN2O2 — CID 117251796

IUPACmethyl 3-benzyl-1-chloroimidazo[1,5-a]pyridine-7-carboxylate
SMILESCOC(=O)c1ccn2c(Cc3ccccc3)nc(Cl)c2c1
InChIInChI=1S/C16H13ClN2O2/c1-21-16(20)12-7-8-19-13(10-12)15(17)18-14(19)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3
InChIKeyJUOKIDXMALFVRH-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.37
Rot. Bonds3

About methyl 3-benzyl-1-chloroimidazo[1,5-a]pyridine-7-carboxylate

methyl 3-benzyl-1-chloroimidazo[1,5-a]pyridine-7-carboxylate (PubChem CID 117251796) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is methyl 3-benzyl-1-chloroimidazo[1,5-a]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-benzyl-1-chloroimidazo[1,5-a]pyridine-7-carboxylate
PubChem CID117251796
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Namemethyl 3-benzyl-1-chloroimidazo[1,5-a]pyridine-7-carboxylate
SMILESCOC(=O)c1ccn2c(Cc3ccccc3)nc(Cl)c2c1
InChIInChI=1S/C16H13ClN2O2/c1-21-16(20)12-7-8-19-13(10-12)15(17)18-14(19)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3
InChIKeyJUOKIDXMALFVRH-UHFFFAOYSA-N
XLogP3.37
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-chloro-3-(2-methylpropyl)imidazo[1,5-a]pyridine-7-carboxylate
CID 117251812
methyl 1-chloro-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-7-carboxylate
CID 117251991
methyl 3-[(4-chlorophenyl)methyl]imidazo[1,5-a]pyridine-7-carboxylate
CID 117145255
1-chloro-3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridine-7-carboxylic acid
CID 117252076
3-(aminomethyl)-1-chloroimidazo[1,5-a]pyridine-7-carboxylic acid
CID 84740466
methyl 1-chloro-3-(1-methylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-7-carboxylate
CID 117251573
methyl 2-benzyl-3H-benzimidazole-5-carboxylate
CID 4915686
3-(2-hydroxyphenyl)-7-methoxycarbonylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 137005666
methyl 3-fluoro-2-phenylimidazo[1,2-a]pyridine-7-carboxylate
CID 90383278
methyl 1-benzyl-2-methylbenzimidazole-5-carboxylate
CID 1070610
ethyl 3-benzyl-2,4-dichloroquinoline-6-carboxylate
CID 90101722
ethyl 2-benzyl-3-[(2-chlorophenyl)methyl]benzimidazole-5-carboxylate
CID 18680791

Frequently Asked Questions

What is the IUPAC name of methyl 3-benzyl-1-chloroimidazo[1,5-a]pyridine-7-carboxylate?
The IUPAC name of methyl 3-benzyl-1-chloroimidazo[1,5-a]pyridine-7-carboxylate (CID 117251796) is methyl 3-benzyl-1-chloroimidazo[1,5-a]pyridine-7-carboxylate.
What is the SMILES notation for methyl 3-benzyl-1-chloroimidazo[1,5-a]pyridine-7-carboxylate?
The canonical SMILES for methyl 3-benzyl-1-chloroimidazo[1,5-a]pyridine-7-carboxylate is COC(=O)c1ccn2c(Cc3ccccc3)nc(Cl)c2c1.
What is the InChIKey of methyl 3-benzyl-1-chloroimidazo[1,5-a]pyridine-7-carboxylate?
The InChIKey is JUOKIDXMALFVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c1-21-16(20)12-7-8-19-13(10-12)15(17)18-14(19)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3.
What are the key properties of methyl 3-benzyl-1-chloroimidazo[1,5-a]pyridine-7-carboxylate?
methyl 3-benzyl-1-chloroimidazo[1,5-a]pyridine-7-carboxylate has a molecular weight of 300.75 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-benzyl-1-chloroimidazo[1,5-a]pyridine-7-carboxylate is sourced from PubChem (CID 117251796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).