methyl 6-hydroxy-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate

C15H19N3O3 — CID 117253578

IUPACmethyl 6-hydroxy-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate
SMILESCOC(=O)c1nc(CC2CCCCN2)n2cc(O)ccc12
InChIInChI=1S/C15H19N3O3/c1-21-15(20)14-12-6-5-11(19)9-18(12)13(17-14)8-10-4-2-3-7-16-10/h5-6,9-10,16,19H,2-4,7-8H2,1H3
InChIKeyWYSSCIJIALHPAI-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.51
Rot. Bonds3

About methyl 6-hydroxy-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate

methyl 6-hydroxy-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate (PubChem CID 117253578) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is methyl 6-hydroxy-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 6-hydroxy-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate
PubChem CID117253578
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Namemethyl 6-hydroxy-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate
SMILESCOC(=O)c1nc(CC2CCCCN2)n2cc(O)ccc12
InChIInChI=1S/C15H19N3O3/c1-21-15(20)14-12-6-5-11(19)9-18(12)13(17-14)8-10-4-2-3-7-16-10/h5-6,9-10,16,19H,2-4,7-8H2,1H3
InChIKeyWYSSCIJIALHPAI-UHFFFAOYSA-N
XLogP1.51
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-amino-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117253584
methyl 8-methoxy-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117254732
6-chloro-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117253586
methyl 5-amino-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117252948
methyl 6-hydroxy-3-(2-oxoethyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117253439
methyl 8-amino-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117254722
methyl 6-methyl-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117253635
methyl 6-hydroxy-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylate
CID 117253837
methyl 6-amino-3-(azetidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117253607
methyl 3-(piperidin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 117147604
8-methoxy-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254731
methyl 2-(piperidin-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate
CID 117130008

Frequently Asked Questions

What is the IUPAC name of methyl 6-hydroxy-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate?
The IUPAC name of methyl 6-hydroxy-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate (CID 117253578) is methyl 6-hydroxy-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate.
What is the SMILES notation for methyl 6-hydroxy-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate?
The canonical SMILES for methyl 6-hydroxy-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate is COC(=O)c1nc(CC2CCCCN2)n2cc(O)ccc12.
What is the InChIKey of methyl 6-hydroxy-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate?
The InChIKey is WYSSCIJIALHPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-21-15(20)14-12-6-5-11(19)9-18(12)13(17-14)8-10-4-2-3-7-16-10/h5-6,9-10,16,19H,2-4,7-8H2,1H3.
What are the key properties of methyl 6-hydroxy-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate?
methyl 6-hydroxy-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate has a molecular weight of 289.33 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-hydroxy-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate is sourced from PubChem (CID 117253578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).