methyl 1-chloro-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate

C15H15ClN2O2 — CID 117248583

IUPACmethyl 1-chloro-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate
SMILESCOC(=O)C1CCc2c(Cl)nc(-c3ccccc3)n2C1
InChIInChI=1S/C15H15ClN2O2/c1-20-15(19)11-7-8-12-13(16)17-14(18(12)9-11)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3
InChIKeyMQGRCXULJYUGKH-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.94
Rot. Bonds2

About methyl 1-chloro-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate

methyl 1-chloro-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate (PubChem CID 117248583) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is methyl 1-chloro-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 1-chloro-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate
PubChem CID117248583
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Namemethyl 1-chloro-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate
SMILESCOC(=O)C1CCc2c(Cl)nc(-c3ccccc3)n2C1
InChIInChI=1S/C15H15ClN2O2/c1-20-15(19)11-7-8-12-13(16)17-14(18(12)9-11)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3
InChIKeyMQGRCXULJYUGKH-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 1-chloro-3-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate
CID 117248388
methyl 1-chloro-3-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate
CID 117248379
6-methoxycarbonyl-3-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117248727
6-methoxycarbonyl-3-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117248667
1-chloro-3-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol
CID 117248747
methyl 1-chloro-3-(oxolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate
CID 117248214
methyl 1-chloro-3-(2-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate
CID 137005490
6-amino-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117248625
1-chloro-3-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid
CID 117249395
methyl 3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate
CID 117248543
methyl 3-(1-methylindol-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 136556964
methyl (6S)-3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 125450352

Frequently Asked Questions

What is the IUPAC name of methyl 1-chloro-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate?
The IUPAC name of methyl 1-chloro-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate (CID 117248583) is methyl 1-chloro-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 1-chloro-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 1-chloro-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate is COC(=O)C1CCc2c(Cl)nc(-c3ccccc3)n2C1.
What is the InChIKey of methyl 1-chloro-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate?
The InChIKey is MQGRCXULJYUGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-20-15(19)11-7-8-12-13(16)17-14(18(12)9-11)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3.
What are the key properties of methyl 1-chloro-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate?
methyl 1-chloro-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-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 1-chloro-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate is sourced from PubChem (CID 117248583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).