methyl 3-(azepan-3-yl)-6-methylimidazo[1,5-a]pyridine-1-carboxylate

C16H21N3O2 — CID 117253559

IUPACmethyl 3-(azepan-3-yl)-6-methylimidazo[1,5-a]pyridine-1-carboxylate
SMILESCOC(=O)c1nc(C2CCCCNC2)n2cc(C)ccc12
InChIInChI=1S/C16H21N3O2/c1-11-6-7-13-14(16(20)21-2)18-15(19(13)10-11)12-5-3-4-8-17-9-12/h6-7,10,12,17H,3-5,8-9H2,1-2H3
InChIKeyDKESRPNVPHBQGO-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.29
Rot. Bonds2

About methyl 3-(azepan-3-yl)-6-methylimidazo[1,5-a]pyridine-1-carboxylate

methyl 3-(azepan-3-yl)-6-methylimidazo[1,5-a]pyridine-1-carboxylate (PubChem CID 117253559) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is methyl 3-(azepan-3-yl)-6-methylimidazo[1,5-a]pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(azepan-3-yl)-6-methylimidazo[1,5-a]pyridine-1-carboxylate
PubChem CID117253559
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Namemethyl 3-(azepan-3-yl)-6-methylimidazo[1,5-a]pyridine-1-carboxylate
SMILESCOC(=O)c1nc(C2CCCCNC2)n2cc(C)ccc12
InChIInChI=1S/C16H21N3O2/c1-11-6-7-13-14(16(20)21-2)18-15(19(13)10-11)12-5-3-4-8-17-9-12/h6-7,10,12,17H,3-5,8-9H2,1-2H3
InChIKeyDKESRPNVPHBQGO-UHFFFAOYSA-N
XLogP2.29
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-methoxy-3-pyrrolidin-3-ylimidazo[1,5-a]pyridine-1-carboxylate
CID 117253518
methyl 7-hydroxy-3-piperidin-3-ylimidazo[1,5-a]pyridine-1-carboxylate
CID 117254082
methyl 3-(azepan-3-yl)-5-methoxyimidazo[1,5-a]pyridine-1-carboxylate
CID 117252914
methyl 3-pyrrolidin-3-ylimidazo[1,5-a]pyridine-1-carboxylate
CID 117252886
methyl 6-methyl-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117253635
methyl 3-(azetidin-3-yl)-6-methoxyimidazo[1,5-a]pyridine-1-carboxylate
CID 117253500
methyl 8-amino-3-(azepan-3-yl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117254701
1-bromo-6-methyl-3-piperidin-3-ylimidazo[1,5-a]pyridine
CID 84743889
6-amino-3-(azepan-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117253551
3-(azepan-3-yl)-6-chloroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117253553
3-(azepan-3-yl)-7-methoxyimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254101
6-methyl-3-pyrrolidin-3-ylimidazo[1,5-a]pyridine-1-carbaldehyde
CID 84740715

Frequently Asked Questions

What is the IUPAC name of methyl 3-(azepan-3-yl)-6-methylimidazo[1,5-a]pyridine-1-carboxylate?
The IUPAC name of methyl 3-(azepan-3-yl)-6-methylimidazo[1,5-a]pyridine-1-carboxylate (CID 117253559) is methyl 3-(azepan-3-yl)-6-methylimidazo[1,5-a]pyridine-1-carboxylate.
What is the SMILES notation for methyl 3-(azepan-3-yl)-6-methylimidazo[1,5-a]pyridine-1-carboxylate?
The canonical SMILES for methyl 3-(azepan-3-yl)-6-methylimidazo[1,5-a]pyridine-1-carboxylate is COC(=O)c1nc(C2CCCCNC2)n2cc(C)ccc12.
What is the InChIKey of methyl 3-(azepan-3-yl)-6-methylimidazo[1,5-a]pyridine-1-carboxylate?
The InChIKey is DKESRPNVPHBQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-6-7-13-14(16(20)21-2)18-15(19(13)10-11)12-5-3-4-8-17-9-12/h6-7,10,12,17H,3-5,8-9H2,1-2H3.
What are the key properties of methyl 3-(azepan-3-yl)-6-methylimidazo[1,5-a]pyridine-1-carboxylate?
methyl 3-(azepan-3-yl)-6-methylimidazo[1,5-a]pyridine-1-carboxylate has a molecular weight of 287.36 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(azepan-3-yl)-6-methylimidazo[1,5-a]pyridine-1-carboxylate is sourced from PubChem (CID 117253559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).