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

C12H18N2O2 — CID 117248559

IUPACmethyl 3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate
SMILESCOC(=O)C1CCc2cnc(C(C)C)n2C1
InChIInChI=1S/C12H18N2O2/c1-8(2)11-13-6-10-5-4-9(7-14(10)11)12(15)16-3/h6,8-9H,4-5,7H2,1-3H3
InChIKeyQWACXHISWBKHJO-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.74
Rot. Bonds2

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

methyl 3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate (PubChem CID 117248559) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is methyl 3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate
PubChem CID117248559
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Namemethyl 3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate
SMILESCOC(=O)C1CCc2cnc(C(C)C)n2C1
InChIInChI=1S/C12H18N2O2/c1-8(2)11-13-6-10-5-4-9(7-14(10)11)12(15)16-3/h6,8-9H,4-5,7H2,1-3H3
InChIKeyQWACXHISWBKHJO-UHFFFAOYSA-N
XLogP1.74
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate
CID 117248543
methyl 3-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate
CID 117248307
methyl 3-(thian-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate
CID 117248303
methyl 3-(oxolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate
CID 117248213
methyl 3-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate
CID 117248664
methyl (6S)-3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 125450352
methyl (6R)-3-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 125449866
3-(2-hydroxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
CID 117147809
methyl 3-cyclohexyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate
CID 117249482
methyl 4-fluorocyclohex-3-ene-1-carboxylate
CID 14365666
3-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
CID 83646498
cis-dimethyl (1R,3S)-cyclopentane-1,3-dicarboxylate
CID 642990

Frequently Asked Questions

What is the IUPAC name of methyl 3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate?
The IUPAC name of methyl 3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate (CID 117248559) is methyl 3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate is COC(=O)C1CCc2cnc(C(C)C)n2C1.
What is the InChIKey of methyl 3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate?
The InChIKey is QWACXHISWBKHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8(2)11-13-6-10-5-4-9(7-14(10)11)12(15)16-3/h6,8-9H,4-5,7H2,1-3H3.
What are the key properties of methyl 3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate?
methyl 3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate has a molecular weight of 222.29 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate is sourced from PubChem (CID 117248559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).