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

C12H17ClN2O2 — CID 117247821

IUPACmethyl 1-chloro-3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate
SMILESCOC(=O)C1CCCc2c(Cl)nc(C(C)C)n21
InChIInChI=1S/C12H17ClN2O2/c1-7(2)11-14-10(13)8-5-4-6-9(15(8)11)12(16)17-3/h7,9H,4-6H2,1-3H3
InChIKeyQMDJDSXYYIQOSM-UHFFFAOYSA-N
MW256.73 g/mol
LogP2.71
Rot. Bonds2

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

methyl 1-chloro-3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate (PubChem CID 117247821) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is methyl 1-chloro-3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-chloro-3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate
PubChem CID117247821
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Namemethyl 1-chloro-3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate
SMILESCOC(=O)C1CCCc2c(Cl)nc(C(C)C)n21
InChIInChI=1S/C12H17ClN2O2/c1-7(2)11-14-10(13)8-5-4-6-9(15(8)11)12(16)17-3/h7,9H,4-6H2,1-3H3
InChIKeyQMDJDSXYYIQOSM-UHFFFAOYSA-N
XLogP2.71
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

methyl 1-bromo-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate
CID 117247803
methyl 3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxylate
CID 10241424
3-(4-hydroxyphenyl)-5-methoxycarbonyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 137005447
5-methoxycarbonyl-3-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117247945
1-chloro-3-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid
CID 117247940
5-methoxycarbonyl-3-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117247863
methyl 3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate
CID 117247825
methyl 3-[(4-chlorophenyl)methyl]-2-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole-4-carboxylate
CID 58460195
methyl (2S)-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidine-2-carboxylate
CID 99857386
methyl 1-(5,6-dichloro-2-pyridinyl)pyrrolidine-2-carboxylate
CID 146387890
methyl 3-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate
CID 117247616
methyl (5S)-3-oxo-2,5,6,7-tetrahydropyrrolo[2,1-c][1,2,4]triazole-5-carboxylate
CID 124603306

Frequently Asked Questions

What is the IUPAC name of methyl 1-chloro-3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate?
The IUPAC name of methyl 1-chloro-3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate (CID 117247821) is methyl 1-chloro-3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate.
What is the SMILES notation for methyl 1-chloro-3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate?
The canonical SMILES for methyl 1-chloro-3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate is COC(=O)C1CCCc2c(Cl)nc(C(C)C)n21.
What is the InChIKey of methyl 1-chloro-3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate?
The InChIKey is QMDJDSXYYIQOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-7(2)11-14-10(13)8-5-4-6-9(15(8)11)12(16)17-3/h7,9H,4-6H2,1-3H3.
What are the key properties of methyl 1-chloro-3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate?
methyl 1-chloro-3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate has a molecular weight of 256.73 g/mol, XLogP of 2.71, 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-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate is sourced from PubChem (CID 117247821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).