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

C15H15ClN2O2 — CID 117249264

IUPACmethyl 3-(3-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate
SMILESCOC(=O)C1CCn2c(cnc2-c2cccc(Cl)c2)C1
InChIInChI=1S/C15H15ClN2O2/c1-20-15(19)11-5-6-18-13(8-11)9-17-14(18)10-3-2-4-12(16)7-10/h2-4,7,9,11H,5-6,8H2,1H3
InChIKeyHCEYUEQQSJDKOW-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.94
Rot. Bonds2

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

methyl 3-(3-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate (PubChem CID 117249264) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is methyl 3-(3-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-(3-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate
PubChem CID117249264
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Namemethyl 3-(3-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate
SMILESCOC(=O)C1CCn2c(cnc2-c2cccc(Cl)c2)C1
InChIInChI=1S/C15H15ClN2O2/c1-20-15(19)11-5-6-18-13(8-11)9-17-14(18)10-3-2-4-12(16)7-10/h2-4,7,9,11H,5-6,8H2,1H3
InChIKeyHCEYUEQQSJDKOW-UHFFFAOYSA-N
XLogP2.94
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (E)-4-[(3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carbonyl)amino]but-2-enoate
CID 154794746
3-(7-amino-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)benzoic acid
CID 117158698
methyl 3-cyclohexyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate
CID 117249482
[3-(3-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]methanol
CID 117148166
methyl (3S)-1-(3-chlorophenyl)pyrrolidine-3-carboxylate
CID 124638264
methyl 1-[2-[[4-amino-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidine-4-carboxylate
CID 7483627
3-(3-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ol
CID 117158694
3-(3-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ol
CID 117151730
methyl 3-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate
CID 117248905
methyl 3-(3-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate
CID 117249953
methyl 1-[5-(3-chlorophenyl)-1H-pyrazol-3-yl]-5-oxopyrrolidine-3-carboxylate
CID 168695091
methyl 3-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate
CID 117249954

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate?
The IUPAC name of methyl 3-(3-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate (CID 117249264) is methyl 3-(3-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate.
What is the SMILES notation for methyl 3-(3-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate?
The canonical SMILES for methyl 3-(3-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate is COC(=O)C1CCn2c(cnc2-c2cccc(Cl)c2)C1.
What is the InChIKey of methyl 3-(3-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate?
The InChIKey is HCEYUEQQSJDKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-20-15(19)11-5-6-18-13(8-11)9-17-14(18)10-3-2-4-12(16)7-10/h2-4,7,9,11H,5-6,8H2,1H3.
What are the key properties of methyl 3-(3-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate?
methyl 3-(3-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate has a molecular weight of 290.75 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate is sourced from PubChem (CID 117249264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).