methyl 8-amino-3-(azepan-3-yl)imidazo[1,5-a]pyridine-1-carboxylate

C15H20N4O2 — CID 117254701

IUPACmethyl 8-amino-3-(azepan-3-yl)imidazo[1,5-a]pyridine-1-carboxylate
SMILESCOC(=O)c1nc(C2CCCCNC2)n2cccc(N)c12
InChIInChI=1S/C15H20N4O2/c1-21-15(20)12-13-11(16)6-4-8-19(13)14(18-12)10-5-2-3-7-17-9-10/h4,6,8,10,17H,2-3,5,7,9,16H2,1H3
InChIKeyOXUYKBSTFVAZAP-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.56
Rot. Bonds2

About methyl 8-amino-3-(azepan-3-yl)imidazo[1,5-a]pyridine-1-carboxylate

methyl 8-amino-3-(azepan-3-yl)imidazo[1,5-a]pyridine-1-carboxylate (PubChem CID 117254701) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is methyl 8-amino-3-(azepan-3-yl)imidazo[1,5-a]pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 8-amino-3-(azepan-3-yl)imidazo[1,5-a]pyridine-1-carboxylate
PubChem CID117254701
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Namemethyl 8-amino-3-(azepan-3-yl)imidazo[1,5-a]pyridine-1-carboxylate
SMILESCOC(=O)c1nc(C2CCCCNC2)n2cccc(N)c12
InChIInChI=1S/C15H20N4O2/c1-21-15(20)12-13-11(16)6-4-8-19(13)14(18-12)10-5-2-3-7-17-9-10/h4,6,8,10,17H,2-3,5,7,9,16H2,1H3
InChIKeyOXUYKBSTFVAZAP-UHFFFAOYSA-N
XLogP1.56
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.56
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 3-(azepan-3-yl)-6-methylimidazo[1,5-a]pyridine-1-carboxylate
CID 117253559
methyl 3-(azetidin-3-yl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylate
CID 117254652
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 8-chloro-3-piperidin-4-ylimidazo[1,5-a]pyridine-1-carboxylate
CID 117254631
methyl 7-hydroxy-3-piperidin-3-ylimidazo[1,5-a]pyridine-1-carboxylate
CID 117254082
methyl 8-amino-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117254722
3-(azepan-3-yl)-7-methoxyimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254101
6-amino-3-(azepan-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117253551
methyl 6-methoxy-3-pyrrolidin-3-ylimidazo[1,5-a]pyridine-1-carboxylate
CID 117253518
5-amino-3-(azepan-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117252921

Frequently Asked Questions

What is the IUPAC name of methyl 8-amino-3-(azepan-3-yl)imidazo[1,5-a]pyridine-1-carboxylate?
The IUPAC name of methyl 8-amino-3-(azepan-3-yl)imidazo[1,5-a]pyridine-1-carboxylate (CID 117254701) is methyl 8-amino-3-(azepan-3-yl)imidazo[1,5-a]pyridine-1-carboxylate.
What is the SMILES notation for methyl 8-amino-3-(azepan-3-yl)imidazo[1,5-a]pyridine-1-carboxylate?
The canonical SMILES for methyl 8-amino-3-(azepan-3-yl)imidazo[1,5-a]pyridine-1-carboxylate is COC(=O)c1nc(C2CCCCNC2)n2cccc(N)c12.
What is the InChIKey of methyl 8-amino-3-(azepan-3-yl)imidazo[1,5-a]pyridine-1-carboxylate?
The InChIKey is OXUYKBSTFVAZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-21-15(20)12-13-11(16)6-4-8-19(13)14(18-12)10-5-2-3-7-17-9-10/h4,6,8,10,17H,2-3,5,7,9,16H2,1H3.
What are the key properties of methyl 8-amino-3-(azepan-3-yl)imidazo[1,5-a]pyridine-1-carboxylate?
methyl 8-amino-3-(azepan-3-yl)imidazo[1,5-a]pyridine-1-carboxylate has a molecular weight of 288.35 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-amino-3-(azepan-3-yl)imidazo[1,5-a]pyridine-1-carboxylate is sourced from PubChem (CID 117254701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).