methyl 1-chloro-3-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate

C12H17ClN2O3 — CID 117249542

IUPACmethyl 1-chloro-3-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate
SMILESCOCCc1nc(Cl)c2n1CCCC2C(=O)OC
InChIInChI=1S/C12H17ClN2O3/c1-17-7-5-9-14-11(13)10-8(12(16)18-2)4-3-6-15(9)10/h8H,3-7H2,1-2H3
InChIKeyAPEIHXOFDAMYJI-UHFFFAOYSA-N
MW272.73 g/mol
LogP1.78
Rot. Bonds4

About methyl 1-chloro-3-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate

methyl 1-chloro-3-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate (PubChem CID 117249542) has the molecular formula C12H17ClN2O3 and a molecular weight of 272.73 g/mol. Its IUPAC name is methyl 1-chloro-3-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate.

Molecular Properties

Compound Namemethyl 1-chloro-3-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate
PubChem CID117249542
Molecular FormulaC12H17ClN2O3
Molecular Weight272.73 g/mol
Exact Mass272.09
IUPAC Namemethyl 1-chloro-3-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate
SMILESCOCCc1nc(Cl)c2n1CCCC2C(=O)OC
InChIInChI=1S/C12H17ClN2O3/c1-17-7-5-9-14-11(13)10-8(12(16)18-2)4-3-6-15(9)10/h8H,3-7H2,1-2H3
InChIKeyAPEIHXOFDAMYJI-UHFFFAOYSA-N
XLogP1.78
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 1-chloro-3-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate with MolForge

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Related Compounds

methyl 1-chloro-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate
CID 117249851
methyl 1-chloro-3-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate
CID 117250140
methyl 1-chloro-3-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate
CID 117249810
1-bromo-3-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-ol
CID 117249555
3-(2-methoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117151863
1-chloro-3-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ol
CID 117248881
1-chloro-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carbaldehyde
CID 83885946
2-(2-methoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 117157106
3-tert-butyl-1-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid
CID 117249922
8-methoxycarbonyl-3-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117249826
methyl 2-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylate
CID 117128251
8-methoxycarbonyl-3-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117249959

Frequently Asked Questions

What is the IUPAC name of methyl 1-chloro-3-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate?
The IUPAC name of methyl 1-chloro-3-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate (CID 117249542) is methyl 1-chloro-3-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate.
What is the SMILES notation for methyl 1-chloro-3-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate?
The canonical SMILES for methyl 1-chloro-3-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate is COCCc1nc(Cl)c2n1CCCC2C(=O)OC.
What is the InChIKey of methyl 1-chloro-3-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate?
The InChIKey is APEIHXOFDAMYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3/c1-17-7-5-9-14-11(13)10-8(12(16)18-2)4-3-6-15(9)10/h8H,3-7H2,1-2H3.
What are the key properties of methyl 1-chloro-3-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate?
methyl 1-chloro-3-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate has a molecular weight of 272.73 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-chloro-3-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate is sourced from PubChem (CID 117249542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).