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

C14H15ClN2O3 — CID 117248379

IUPACmethyl 1-chloro-3-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate
SMILESCOC(=O)C1CCc2c(Cl)nc(-c3ccc(C)o3)n2C1
InChIInChI=1S/C14H15ClN2O3/c1-8-3-6-11(20-8)13-16-12(15)10-5-4-9(7-17(10)13)14(18)19-2/h3,6,9H,4-5,7H2,1-2H3
InChIKeySLXHPQSVAOVCOT-UHFFFAOYSA-N
MW294.74 g/mol
LogP2.84
Rot. Bonds2

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

methyl 1-chloro-3-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate (PubChem CID 117248379) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is methyl 1-chloro-3-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 1-chloro-3-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate
PubChem CID117248379
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Namemethyl 1-chloro-3-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate
SMILESCOC(=O)C1CCc2c(Cl)nc(-c3ccc(C)o3)n2C1
InChIInChI=1S/C14H15ClN2O3/c1-8-3-6-11(20-8)13-16-12(15)10-5-4-9(7-17(10)13)14(18)19-2/h3,6,9H,4-5,7H2,1-2H3
InChIKeySLXHPQSVAOVCOT-UHFFFAOYSA-N
XLogP2.84
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

methyl 1-chloro-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate
CID 117248583
methyl 1-chloro-3-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate
CID 117248388
methyl 3-(5-methylfuran-2-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-7-carboxylate
CID 136557127
methyl 1-chloro-3-(oxolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate
CID 117248214
6-methoxycarbonyl-3-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117248727
3-bromo-1-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
CID 84606293
3-(5-chlorofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxylic acid
CID 117248395
6-methoxycarbonyl-3-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117248667
1-chloro-3-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-ol
CID 117249760
1-chloro-3-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol
CID 117248747
methyl 3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate
CID 117248543
1-chloro-8-methyl-3-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117249792

Frequently Asked Questions

What is the IUPAC name of methyl 1-chloro-3-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate?
The IUPAC name of methyl 1-chloro-3-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate (CID 117248379) is methyl 1-chloro-3-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 1-chloro-3-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 1-chloro-3-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate is COC(=O)C1CCc2c(Cl)nc(-c3ccc(C)o3)n2C1.
What is the InChIKey of methyl 1-chloro-3-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate?
The InChIKey is SLXHPQSVAOVCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-8-3-6-11(20-8)13-16-12(15)10-5-4-9(7-17(10)13)14(18)19-2/h3,6,9H,4-5,7H2,1-2H3.
What are the key properties of methyl 1-chloro-3-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate?
methyl 1-chloro-3-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate has a molecular weight of 294.74 g/mol, XLogP of 2.84, 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-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate is sourced from PubChem (CID 117248379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).