3-(azepan-3-yl)-7-methoxyimidazo[1,5-a]pyridine-1-carboxylic acid

C15H19N3O3 — CID 117254101

IUPAC3-(azepan-3-yl)-7-methoxyimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCOc1ccn2c(C3CCCCNC3)nc(C(=O)O)c2c1
InChIInChI=1S/C15H19N3O3/c1-21-11-5-7-18-12(8-11)13(15(19)20)17-14(18)10-4-2-3-6-16-9-10/h5,7-8,10,16H,2-4,6,9H2,1H3,(H,19,20)
InChIKeyZEAOYQZLBCSCBU-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.90
Rot. Bonds3

About 3-(azepan-3-yl)-7-methoxyimidazo[1,5-a]pyridine-1-carboxylic acid

3-(azepan-3-yl)-7-methoxyimidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 117254101) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-(azepan-3-yl)-7-methoxyimidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name3-(azepan-3-yl)-7-methoxyimidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID117254101
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name3-(azepan-3-yl)-7-methoxyimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCOc1ccn2c(C3CCCCNC3)nc(C(=O)O)c2c1
InChIInChI=1S/C15H19N3O3/c1-21-11-5-7-18-12(8-11)13(15(19)20)17-14(18)10-4-2-3-6-16-9-10/h5,7-8,10,16H,2-4,6,9H2,1H3,(H,19,20)
InChIKeyZEAOYQZLBCSCBU-UHFFFAOYSA-N
XLogP1.90
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-pyrrolidin-3-ylimidazo[1,5-a]pyridine-1,7-dicarboxylic acid
CID 117251581
7-methoxy-3-(piperidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254202
methyl 7-hydroxy-3-piperidin-3-ylimidazo[1,5-a]pyridine-1-carboxylate
CID 117254082
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-(azetidin-3-yl)-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254064
1-bromo-3-piperidin-3-ylimidazo[1,5-a]pyridine-7-carboxylic acid
CID 84744775
5-amino-3-(azepan-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117252921
methyl 7-methoxy-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate
CID 117254222
methyl 3-(azepan-3-yl)-6-methylimidazo[1,5-a]pyridine-1-carboxylate
CID 117253559
methyl 8-amino-3-(azepan-3-yl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117254701
3-[(cyclopropylamino)methyl]-7-methoxyimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255414

Frequently Asked Questions

What is the IUPAC name of 3-(azepan-3-yl)-7-methoxyimidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 3-(azepan-3-yl)-7-methoxyimidazo[1,5-a]pyridine-1-carboxylic acid (CID 117254101) is 3-(azepan-3-yl)-7-methoxyimidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 3-(azepan-3-yl)-7-methoxyimidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 3-(azepan-3-yl)-7-methoxyimidazo[1,5-a]pyridine-1-carboxylic acid is COc1ccn2c(C3CCCCNC3)nc(C(=O)O)c2c1.
What is the InChIKey of 3-(azepan-3-yl)-7-methoxyimidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is ZEAOYQZLBCSCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-21-11-5-7-18-12(8-11)13(15(19)20)17-14(18)10-4-2-3-6-16-9-10/h5,7-8,10,16H,2-4,6,9H2,1H3,(H,19,20).
What are the key properties of 3-(azepan-3-yl)-7-methoxyimidazo[1,5-a]pyridine-1-carboxylic acid?
3-(azepan-3-yl)-7-methoxyimidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 289.34 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-3-yl)-7-methoxyimidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 117254101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).