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

C13H16N2O3 — CID 116984145

IUPACmethyl 3-(1-hydroxybutan-2-yl)imidazo[1,5-a]pyridine-1-carboxylate
SMILESCCC(CO)c1nc(C(=O)OC)c2ccccn12
InChIInChI=1S/C13H16N2O3/c1-3-9(8-16)12-14-11(13(17)18-2)10-6-4-5-7-15(10)12/h4-7,9,16H,3,8H2,1-2H3
InChIKeyHMVOVXYECVLYTI-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.61
Rot. Bonds4

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

methyl 3-(1-hydroxybutan-2-yl)imidazo[1,5-a]pyridine-1-carboxylate (PubChem CID 116984145) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is methyl 3-(1-hydroxybutan-2-yl)imidazo[1,5-a]pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(1-hydroxybutan-2-yl)imidazo[1,5-a]pyridine-1-carboxylate
PubChem CID116984145
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Namemethyl 3-(1-hydroxybutan-2-yl)imidazo[1,5-a]pyridine-1-carboxylate
SMILESCCC(CO)c1nc(C(=O)OC)c2ccccn12
InChIInChI=1S/C13H16N2O3/c1-3-9(8-16)12-14-11(13(17)18-2)10-6-4-5-7-15(10)12/h4-7,9,16H,3,8H2,1-2H3
InChIKeyHMVOVXYECVLYTI-UHFFFAOYSA-N
XLogP1.61
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-O-ethyl 1-O-methyl imidazo[1,5-a]pyridine-1,3-dicarboxylate
CID 116984154
methyl 3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117252766
2-(1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)acetic acid
CID 117253360
methyl 3-(2-cyanoethyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 116984118
methyl 3-(3-amino-3-methylbutyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 116984091
2-methoxyethyl 3-methylimidazo[1,5-a]pyridine-1-carboxylate
CID 56795161
methyl 3-bromoimidazo[1,5-a]pyridine-1-carboxylate;methyl 3-prop-1-en-2-ylimidazo[1,5-a]pyridine-1-carboxylate;propane;trifluoro(prop-1-en-2-yl)boranuide
CID 161363631
methyl 3-pyrrolidin-3-ylimidazo[1,5-a]pyridine-1-carboxylate
CID 117252886
3-ethyl-N-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
CID 110674602
methyl 7-amino-3-(1-aminoethyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117254299
methyl 4-[[3-(diethylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate
CID 109071028
methyl 7-hydroxy-3-[1-(methylamino)ethyl]imidazo[1,5-a]pyridine-1-carboxylate
CID 117254267

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1-hydroxybutan-2-yl)imidazo[1,5-a]pyridine-1-carboxylate?
The IUPAC name of methyl 3-(1-hydroxybutan-2-yl)imidazo[1,5-a]pyridine-1-carboxylate (CID 116984145) is methyl 3-(1-hydroxybutan-2-yl)imidazo[1,5-a]pyridine-1-carboxylate.
What is the SMILES notation for methyl 3-(1-hydroxybutan-2-yl)imidazo[1,5-a]pyridine-1-carboxylate?
The canonical SMILES for methyl 3-(1-hydroxybutan-2-yl)imidazo[1,5-a]pyridine-1-carboxylate is CCC(CO)c1nc(C(=O)OC)c2ccccn12.
What is the InChIKey of methyl 3-(1-hydroxybutan-2-yl)imidazo[1,5-a]pyridine-1-carboxylate?
The InChIKey is HMVOVXYECVLYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-3-9(8-16)12-14-11(13(17)18-2)10-6-4-5-7-15(10)12/h4-7,9,16H,3,8H2,1-2H3.
What are the key properties of methyl 3-(1-hydroxybutan-2-yl)imidazo[1,5-a]pyridine-1-carboxylate?
methyl 3-(1-hydroxybutan-2-yl)imidazo[1,5-a]pyridine-1-carboxylate has a molecular weight of 248.28 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1-hydroxybutan-2-yl)imidazo[1,5-a]pyridine-1-carboxylate is sourced from PubChem (CID 116984145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).