methyl 3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate

C13H20N2O2 — CID 117247825

IUPACmethyl 3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate
SMILESCOC(=O)C1CCCc2cnc(C(C)(C)C)n21
InChIInChI=1S/C13H20N2O2/c1-13(2,3)12-14-8-9-6-5-7-10(15(9)12)11(16)17-4/h8,10H,5-7H2,1-4H3
InChIKeyJDYVAIXVEPPXNK-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.23
Rot. Bonds1

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

methyl 3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate (PubChem CID 117247825) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is methyl 3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate
PubChem CID117247825
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Namemethyl 3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate
SMILESCOC(=O)C1CCCc2cnc(C(C)(C)C)n21
InChIInChI=1S/C13H20N2O2/c1-13(2,3)12-14-8-9-6-5-7-10(15(9)12)11(16)17-4/h8,10H,5-7H2,1-4H3
InChIKeyJDYVAIXVEPPXNK-UHFFFAOYSA-N
XLogP2.23
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate
CID 117247616
6-acetyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrazin-4-one
CID 58849747
1-(3-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)ethanone
CID 83881997
methyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 82568086
methyl 1-bromo-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate
CID 117247803
3-cyclobutyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid
CID 83837680
methyl 1-chloro-3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate
CID 117247821
3-(4-hydroxyphenyl)-5-methoxycarbonyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 137005447
methyl 1-(5-bromopyrimidin-2-yl)piperidine-2-carboxylate
CID 115538351
methyl 6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-3-carboxylate
CID 122522161
methyl 3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxylate
CID 10241424
methyl 1-(6-formyl-3-pyridinyl)pyrrolidine-2-carboxylate
CID 165461124

Frequently Asked Questions

What is the IUPAC name of methyl 3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate?
The IUPAC name of methyl 3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate (CID 117247825) is methyl 3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate.
What is the SMILES notation for methyl 3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate?
The canonical SMILES for methyl 3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate is COC(=O)C1CCCc2cnc(C(C)(C)C)n21.
What is the InChIKey of methyl 3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate?
The InChIKey is JDYVAIXVEPPXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-13(2,3)12-14-8-9-6-5-7-10(15(9)12)11(16)17-4/h8,10H,5-7H2,1-4H3.
What are the key properties of methyl 3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate?
methyl 3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate has a molecular weight of 236.31 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate is sourced from PubChem (CID 117247825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).