6-amino-3-(azepan-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid

C14H18N4O2 — CID 117253551

IUPAC6-amino-3-(azepan-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESNc1ccc2c(C(=O)O)nc(C3CCCCNC3)n2c1
InChIInChI=1S/C14H18N4O2/c15-10-4-5-11-12(14(19)20)17-13(18(11)8-10)9-3-1-2-6-16-7-9/h4-5,8-9,16H,1-3,6-7,15H2,(H,19,20)
InChIKeyKDFQITIMXWHOGD-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.47
Rot. Bonds2

About 6-amino-3-(azepan-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid

6-amino-3-(azepan-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 117253551) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 6-amino-3-(azepan-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name6-amino-3-(azepan-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID117253551
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name6-amino-3-(azepan-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESNc1ccc2c(C(=O)O)nc(C3CCCCNC3)n2c1
InChIInChI=1S/C14H18N4O2/c15-10-4-5-11-12(14(19)20)17-13(18(11)8-10)9-3-1-2-6-16-7-9/h4-5,8-9,16H,1-3,6-7,15H2,(H,19,20)
InChIKeyKDFQITIMXWHOGD-UHFFFAOYSA-N
XLogP1.47
TPSA92.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-3-pyrrolidin-3-ylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117251036
3-(azepan-3-yl)-6-chloroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117253553
5-amino-3-(azepan-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117252921
3-(azepan-3-yl)-7-methoxyimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254101
methyl 3-(azepan-3-yl)-6-methylimidazo[1,5-a]pyridine-1-carboxylate
CID 117253559
6-amino-3-(1-ethylpiperidin-4-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117251109
3-(azetidin-3-yl)-6-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117253497
6-amino-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117253584
3-pyrrolidin-3-ylimidazo[1,5-a]pyridine-1,7-dicarboxylic acid
CID 117251581
methyl 8-amino-3-(azepan-3-yl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117254701
methyl 6-methoxy-3-pyrrolidin-3-ylimidazo[1,5-a]pyridine-1-carboxylate
CID 117253518
6-methoxy-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 84742664

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(azepan-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 6-amino-3-(azepan-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid (CID 117253551) is 6-amino-3-(azepan-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 6-amino-3-(azepan-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 6-amino-3-(azepan-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid is Nc1ccc2c(C(=O)O)nc(C3CCCCNC3)n2c1.
What is the InChIKey of 6-amino-3-(azepan-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is KDFQITIMXWHOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c15-10-4-5-11-12(14(19)20)17-13(18(11)8-10)9-3-1-2-6-16-7-9/h4-5,8-9,16H,1-3,6-7,15H2,(H,19,20).
What are the key properties of 6-amino-3-(azepan-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid?
6-amino-3-(azepan-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 1.47, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(azepan-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 117253551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).