methyl 1-chloro-3-(2-methylpropyl)imidazo[1,5-a]pyridine-7-carboxylate

C13H15ClN2O2 — CID 117251812

IUPACmethyl 1-chloro-3-(2-methylpropyl)imidazo[1,5-a]pyridine-7-carboxylate
SMILESCOC(=O)c1ccn2c(CC(C)C)nc(Cl)c2c1
InChIInChI=1S/C13H15ClN2O2/c1-8(2)6-11-15-12(14)10-7-9(13(17)18-3)4-5-16(10)11/h4-5,7-8H,6H2,1-3H3
InChIKeyFILHBWADGXQRDT-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.97
Rot. Bonds3

About methyl 1-chloro-3-(2-methylpropyl)imidazo[1,5-a]pyridine-7-carboxylate

methyl 1-chloro-3-(2-methylpropyl)imidazo[1,5-a]pyridine-7-carboxylate (PubChem CID 117251812) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is methyl 1-chloro-3-(2-methylpropyl)imidazo[1,5-a]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 1-chloro-3-(2-methylpropyl)imidazo[1,5-a]pyridine-7-carboxylate
PubChem CID117251812
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Namemethyl 1-chloro-3-(2-methylpropyl)imidazo[1,5-a]pyridine-7-carboxylate
SMILESCOC(=O)c1ccn2c(CC(C)C)nc(Cl)c2c1
InChIInChI=1S/C13H15ClN2O2/c1-8(2)6-11-15-12(14)10-7-9(13(17)18-3)4-5-16(10)11/h4-5,7-8H,6H2,1-3H3
InChIKeyFILHBWADGXQRDT-UHFFFAOYSA-N
XLogP2.97
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-benzyl-1-chloroimidazo[1,5-a]pyridine-7-carboxylate
CID 117251796
1-chloro-N-methyl-3-(2-methylpropyl)imidazo[1,5-a]pyridin-7-amine
CID 83897879
methyl 1-chloro-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-7-carboxylate
CID 117251991
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 3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117252766
methyl 3-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate
CID 117257309
methyl 3-[(4-chlorophenyl)methyl]imidazo[1,5-a]pyridine-7-carboxylate
CID 117145255
methyl 3-hydroxy-4-(2-methylpropyl)benzoate
CID 143575429
methyl 3-[[5-chloro-1-(2-methylpropyl)indazol-7-yl]methyl]imidazo[1,5-a]pyridine-7-carboxylate
CID 118251575
methyl 3-amino-2-(4-chlorophenyl)imidazo[1,2-a]pyridine-7-carboxylate
CID 143687595
1-O-methyl 3-O-(2-methylpropyl) benzene-1,3-dicarboxylate
CID 22571196

Frequently Asked Questions

What is the IUPAC name of methyl 1-chloro-3-(2-methylpropyl)imidazo[1,5-a]pyridine-7-carboxylate?
The IUPAC name of methyl 1-chloro-3-(2-methylpropyl)imidazo[1,5-a]pyridine-7-carboxylate (CID 117251812) is methyl 1-chloro-3-(2-methylpropyl)imidazo[1,5-a]pyridine-7-carboxylate.
What is the SMILES notation for methyl 1-chloro-3-(2-methylpropyl)imidazo[1,5-a]pyridine-7-carboxylate?
The canonical SMILES for methyl 1-chloro-3-(2-methylpropyl)imidazo[1,5-a]pyridine-7-carboxylate is COC(=O)c1ccn2c(CC(C)C)nc(Cl)c2c1.
What is the InChIKey of methyl 1-chloro-3-(2-methylpropyl)imidazo[1,5-a]pyridine-7-carboxylate?
The InChIKey is FILHBWADGXQRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-8(2)6-11-15-12(14)10-7-9(13(17)18-3)4-5-16(10)11/h4-5,7-8H,6H2,1-3H3.
What are the key properties of methyl 1-chloro-3-(2-methylpropyl)imidazo[1,5-a]pyridine-7-carboxylate?
methyl 1-chloro-3-(2-methylpropyl)imidazo[1,5-a]pyridine-7-carboxylate has a molecular weight of 266.73 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-chloro-3-(2-methylpropyl)imidazo[1,5-a]pyridine-7-carboxylate is sourced from PubChem (CID 117251812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).