methyl 3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylate

C12H14N2O3 — CID 117252766

IUPACmethyl 3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylate
SMILESCOC(=O)c1nc(CC(C)O)n2ccccc12
InChIInChI=1S/C12H14N2O3/c1-8(15)7-10-13-11(12(16)17-2)9-5-3-4-6-14(9)10/h3-6,8,15H,7H2,1-2H3
InChIKeyLYHSJYINFZWHOK-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.04
Rot. Bonds3

About methyl 3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylate

methyl 3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylate (PubChem CID 117252766) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is methyl 3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylate
PubChem CID117252766
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Namemethyl 3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylate
SMILESCOC(=O)c1nc(CC(C)O)n2ccccc12
InChIInChI=1S/C12H14N2O3/c1-8(15)7-10-13-11(12(16)17-2)9-5-3-4-6-14(9)10/h3-6,8,15H,7H2,1-2H3
InChIKeyLYHSJYINFZWHOK-UHFFFAOYSA-N
XLogP1.04
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)acetic acid
CID 117253360
methyl 6-bromo-3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117253419
methyl 3-(2-hydroxypropyl)-5-methoxyimidazo[1,5-a]pyridine-1-carboxylate
CID 117252733
methyl 3-(3-amino-3-methylbutyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 116984091
methyl 3-(2-cyanoethyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 116984118
N-(4-methoxybutyl)-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 110610181
3-ethyl-N-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
CID 110674602
3-O-ethyl 1-O-methyl imidazo[1,5-a]pyridine-1,3-dicarboxylate
CID 116984154
methyl 3-(1-hydroxybutan-2-yl)imidazo[1,5-a]pyridine-1-carboxylate
CID 116984145
3-(3-amino-2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984013
N-(2-acetamidoethyl)-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 110674791
N-(4-acetamidophenyl)-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 110423911

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylate?
The IUPAC name of methyl 3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylate (CID 117252766) is methyl 3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylate.
What is the SMILES notation for methyl 3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylate?
The canonical SMILES for methyl 3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylate is COC(=O)c1nc(CC(C)O)n2ccccc12.
What is the InChIKey of methyl 3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylate?
The InChIKey is LYHSJYINFZWHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-8(15)7-10-13-11(12(16)17-2)9-5-3-4-6-14(9)10/h3-6,8,15H,7H2,1-2H3.
What are the key properties of methyl 3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylate?
methyl 3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylate has a molecular weight of 234.25 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylate is sourced from PubChem (CID 117252766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).