methyl 6-hydroxy-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate

C13H15N3O3 — CID 117253657

IUPACmethyl 6-hydroxy-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate
SMILESCOC(=O)c1nc(C2CCCN2)n2cc(O)ccc12
InChIInChI=1S/C13H15N3O3/c1-19-13(18)11-10-5-4-8(17)7-16(10)12(15-11)9-3-2-6-14-9/h4-5,7,9,14,17H,2-3,6H2,1H3
InChIKeyNDBRHPYGTHKSLK-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.25
Rot. Bonds2

About methyl 6-hydroxy-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate

methyl 6-hydroxy-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate (PubChem CID 117253657) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is methyl 6-hydroxy-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 6-hydroxy-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate
PubChem CID117253657
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Namemethyl 6-hydroxy-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate
SMILESCOC(=O)c1nc(C2CCCN2)n2cc(O)ccc12
InChIInChI=1S/C13H15N3O3/c1-19-13(18)11-10-5-4-8(17)7-16(10)12(15-11)9-3-2-6-14-9/h4-5,7,9,14,17H,2-3,6H2,1H3
InChIKeyNDBRHPYGTHKSLK-UHFFFAOYSA-N
XLogP1.25
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 7-methoxy-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate
CID 117254222
6-methoxy-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 84742664
1-bromo-3-pyrrolidin-2-ylimidazo[1,5-a]pyridin-6-ol
CID 117253655
methyl 6-hydroxy-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117253578
methyl 5-methyl-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate
CID 117253065
methyl 5-chloro-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate
CID 117253063
methyl 3-(azepan-3-yl)-6-methylimidazo[1,5-a]pyridine-1-carboxylate
CID 117253559
methyl 6-methoxy-3-pyrrolidin-3-ylimidazo[1,5-a]pyridine-1-carboxylate
CID 117253518
methyl 6-hydroxy-3-(2-oxoethyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117253439
methyl 3-(azetidin-3-yl)-6-methoxyimidazo[1,5-a]pyridine-1-carboxylate
CID 117253500
methyl 7-hydroxy-3-piperidin-3-ylimidazo[1,5-a]pyridine-1-carboxylate
CID 117254082
7-hydroxy-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one
CID 115038194

Frequently Asked Questions

What is the IUPAC name of methyl 6-hydroxy-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate?
The IUPAC name of methyl 6-hydroxy-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate (CID 117253657) is methyl 6-hydroxy-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate.
What is the SMILES notation for methyl 6-hydroxy-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate?
The canonical SMILES for methyl 6-hydroxy-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate is COC(=O)c1nc(C2CCCN2)n2cc(O)ccc12.
What is the InChIKey of methyl 6-hydroxy-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate?
The InChIKey is NDBRHPYGTHKSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-19-13(18)11-10-5-4-8(17)7-16(10)12(15-11)9-3-2-6-14-9/h4-5,7,9,14,17H,2-3,6H2,1H3.
What are the key properties of methyl 6-hydroxy-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate?
methyl 6-hydroxy-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate has a molecular weight of 261.28 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-hydroxy-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate is sourced from PubChem (CID 117253657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).