methyl 3-(azetidin-3-ylmethyl)-8-hydroxyimidazo[1,5-a]pyridine-1-carboxylate

C13H15N3O3 — CID 117254749

IUPACmethyl 3-(azetidin-3-ylmethyl)-8-hydroxyimidazo[1,5-a]pyridine-1-carboxylate
SMILESCOC(=O)c1nc(CC2CNC2)n2cccc(O)c12
InChIInChI=1S/C13H15N3O3/c1-19-13(18)11-12-9(17)3-2-4-16(12)10(15-11)5-8-6-14-7-8/h2-4,8,14,17H,5-7H2,1H3
InChIKeyNVBIOKRDVUALJM-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.59
Rot. Bonds3

About methyl 3-(azetidin-3-ylmethyl)-8-hydroxyimidazo[1,5-a]pyridine-1-carboxylate

methyl 3-(azetidin-3-ylmethyl)-8-hydroxyimidazo[1,5-a]pyridine-1-carboxylate (PubChem CID 117254749) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is methyl 3-(azetidin-3-ylmethyl)-8-hydroxyimidazo[1,5-a]pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(azetidin-3-ylmethyl)-8-hydroxyimidazo[1,5-a]pyridine-1-carboxylate
PubChem CID117254749
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Namemethyl 3-(azetidin-3-ylmethyl)-8-hydroxyimidazo[1,5-a]pyridine-1-carboxylate
SMILESCOC(=O)c1nc(CC2CNC2)n2cccc(O)c12
InChIInChI=1S/C13H15N3O3/c1-19-13(18)11-12-9(17)3-2-4-16(12)10(15-11)5-8-6-14-7-8/h2-4,8,14,17H,5-7H2,1H3
InChIKeyNVBIOKRDVUALJM-UHFFFAOYSA-N
XLogP0.59
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 8-amino-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117254781
methyl 8-hydroxy-3-[2-(methylamino)ethyl]imidazo[1,5-a]pyridine-1-carboxylate
CID 117254937
methyl 6-amino-3-(azetidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117253607
methyl 8-amino-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117254722
methyl 8-methoxy-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117254732
methyl 3-(azetidin-3-yl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylate
CID 117254652
methyl 6-methyl-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117253635
8-hydroxy-3-(methoxymethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255582
methyl 3-(aminomethyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylate
CID 117254883
8-amino-3-(piperidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254798
8-hydroxy-3-(2-methoxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117252133
3-(azetidin-3-ylmethyl)-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254174

Frequently Asked Questions

What is the IUPAC name of methyl 3-(azetidin-3-ylmethyl)-8-hydroxyimidazo[1,5-a]pyridine-1-carboxylate?
The IUPAC name of methyl 3-(azetidin-3-ylmethyl)-8-hydroxyimidazo[1,5-a]pyridine-1-carboxylate (CID 117254749) is methyl 3-(azetidin-3-ylmethyl)-8-hydroxyimidazo[1,5-a]pyridine-1-carboxylate.
What is the SMILES notation for methyl 3-(azetidin-3-ylmethyl)-8-hydroxyimidazo[1,5-a]pyridine-1-carboxylate?
The canonical SMILES for methyl 3-(azetidin-3-ylmethyl)-8-hydroxyimidazo[1,5-a]pyridine-1-carboxylate is COC(=O)c1nc(CC2CNC2)n2cccc(O)c12.
What is the InChIKey of methyl 3-(azetidin-3-ylmethyl)-8-hydroxyimidazo[1,5-a]pyridine-1-carboxylate?
The InChIKey is NVBIOKRDVUALJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-19-13(18)11-12-9(17)3-2-4-16(12)10(15-11)5-8-6-14-7-8/h2-4,8,14,17H,5-7H2,1H3.
What are the key properties of methyl 3-(azetidin-3-ylmethyl)-8-hydroxyimidazo[1,5-a]pyridine-1-carboxylate?
methyl 3-(azetidin-3-ylmethyl)-8-hydroxyimidazo[1,5-a]pyridine-1-carboxylate has a molecular weight of 261.28 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(azetidin-3-ylmethyl)-8-hydroxyimidazo[1,5-a]pyridine-1-carboxylate is sourced from PubChem (CID 117254749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).