methyl 7-methoxy-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate

C14H17N3O3 — CID 117254222

IUPACmethyl 7-methoxy-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate
SMILESCOC(=O)c1nc(C2CCCN2)n2ccc(OC)cc12
InChIInChI=1S/C14H17N3O3/c1-19-9-5-7-17-11(8-9)12(14(18)20-2)16-13(17)10-4-3-6-15-10/h5,7-8,10,15H,3-4,6H2,1-2H3
InChIKeyPPSHZMFQUKSMLJ-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.55
Rot. Bonds3

About methyl 7-methoxy-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate

methyl 7-methoxy-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate (PubChem CID 117254222) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is methyl 7-methoxy-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 7-methoxy-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate
PubChem CID117254222
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Namemethyl 7-methoxy-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate
SMILESCOC(=O)c1nc(C2CCCN2)n2ccc(OC)cc12
InChIInChI=1S/C14H17N3O3/c1-19-9-5-7-17-11(8-9)12(14(18)20-2)16-13(17)10-4-3-6-15-10/h5,7-8,10,15H,3-4,6H2,1-2H3
InChIKeyPPSHZMFQUKSMLJ-UHFFFAOYSA-N
XLogP1.55
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-hydroxy-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate
CID 117253657
6-methoxy-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 84742664
methyl 5-methyl-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate
CID 117253065
methyl 7-hydroxy-3-piperidin-3-ylimidazo[1,5-a]pyridine-1-carboxylate
CID 117254082
methyl 5-chloro-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate
CID 117253063
3-(azepan-3-yl)-7-methoxyimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254101
methyl 6-methoxy-3-pyrrolidin-3-ylimidazo[1,5-a]pyridine-1-carboxylate
CID 117253518
7-methoxy-3-(piperidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254202
methyl 3-pyrrolidin-3-ylimidazo[1,5-a]pyridine-1-carboxylate
CID 117252886
methyl 3-(azetidin-3-yl)-6-methoxyimidazo[1,5-a]pyridine-1-carboxylate
CID 117253500
7-methoxy-2-pyrrolidin-2-ylquinoline-4-carboxylic acid
CID 84641748
3-[(cyclopropylamino)methyl]-7-methoxyimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255414

Frequently Asked Questions

What is the IUPAC name of methyl 7-methoxy-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate?
The IUPAC name of methyl 7-methoxy-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate (CID 117254222) is methyl 7-methoxy-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate.
What is the SMILES notation for methyl 7-methoxy-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate?
The canonical SMILES for methyl 7-methoxy-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate is COC(=O)c1nc(C2CCCN2)n2ccc(OC)cc12.
What is the InChIKey of methyl 7-methoxy-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate?
The InChIKey is PPSHZMFQUKSMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-19-9-5-7-17-11(8-9)12(14(18)20-2)16-13(17)10-4-3-6-15-10/h5,7-8,10,15H,3-4,6H2,1-2H3.
What are the key properties of methyl 7-methoxy-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate?
methyl 7-methoxy-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate has a molecular weight of 275.31 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-methoxy-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate is sourced from PubChem (CID 117254222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).