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

C14H14ClN3O2 — CID 117249810

IUPACmethyl 1-chloro-3-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate
SMILESCOC(=O)C1CCCn2c(-c3cccnc3)nc(Cl)c21
InChIInChI=1S/C14H14ClN3O2/c1-20-14(19)10-5-3-7-18-11(10)12(15)17-13(18)9-4-2-6-16-8-9/h2,4,6,8,10H,3,5,7H2,1H3
InChIKeySCXXWTZMRMRXMK-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.65
Rot. Bonds2

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

methyl 1-chloro-3-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate (PubChem CID 117249810) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is methyl 1-chloro-3-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate.

Molecular Properties

Compound Namemethyl 1-chloro-3-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate
PubChem CID117249810
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Namemethyl 1-chloro-3-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate
SMILESCOC(=O)C1CCCn2c(-c3cccnc3)nc(Cl)c21
InChIInChI=1S/C14H14ClN3O2/c1-20-14(19)10-5-3-7-18-11(10)12(15)17-13(18)9-4-2-6-16-8-9/h2,4,6,8,10H,3,5,7H2,1H3
InChIKeySCXXWTZMRMRXMK-UHFFFAOYSA-N
XLogP2.65
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 1-chloro-3-pyridin-3-yl-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
8-methoxycarbonyl-3-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117249959
1-chloro-3-(3-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid
CID 117249947
methyl 1-chloro-3-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate
CID 117249542
8-methoxycarbonyl-3-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117249826
methyl 2-chloro-8-methoxy-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carboxylate
CID 22012037
1-chloro-3-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117247708
2-chloro-8-methoxy-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carboxylic acid
CID 70347528
methyl 8-hydroxy-2-methyl-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carboxylate
CID 22012067
methyl 3-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate
CID 117250020
methyl (2S)-1-[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]pyrrolidine-2-carboxylate
CID 156866200
methyl (2R)-1-pyridin-3-ylpyrrolidine-2-carboxylate
CID 96706511

Frequently Asked Questions

What is the IUPAC name of methyl 1-chloro-3-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate?
The IUPAC name of methyl 1-chloro-3-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate (CID 117249810) is methyl 1-chloro-3-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate.
What is the SMILES notation for methyl 1-chloro-3-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate?
The canonical SMILES for methyl 1-chloro-3-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate is COC(=O)C1CCCn2c(-c3cccnc3)nc(Cl)c21.
What is the InChIKey of methyl 1-chloro-3-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate?
The InChIKey is SCXXWTZMRMRXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-20-14(19)10-5-3-7-18-11(10)12(15)17-13(18)9-4-2-6-16-8-9/h2,4,6,8,10H,3,5,7H2,1H3.
What are the key properties of methyl 1-chloro-3-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate?
methyl 1-chloro-3-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate has a molecular weight of 291.74 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-chloro-3-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate is sourced from PubChem (CID 117249810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).