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

C14H18N4O2 — CID 117252921

IUPAC5-amino-3-(azepan-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESNc1cccc2c(C(=O)O)nc(C3CCCCNC3)n12
InChIInChI=1S/C14H18N4O2/c15-11-6-3-5-10-12(14(19)20)17-13(18(10)11)9-4-1-2-7-16-8-9/h3,5-6,9,16H,1-2,4,7-8,15H2,(H,19,20)
InChIKeyWKAIGYONFZFTME-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.47
Rot. Bonds2

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

5-amino-3-(azepan-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 117252921) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-amino-3-(azepan-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name5-amino-3-(azepan-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID117252921
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name5-amino-3-(azepan-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESNc1cccc2c(C(=O)O)nc(C3CCCCNC3)n12
InChIInChI=1S/C14H18N4O2/c15-11-6-3-5-10-12(14(19)20)17-13(18(10)11)9-4-1-2-7-16-8-9/h3,5-6,9,16H,1-2,4,7-8,15H2,(H,19,20)
InChIKeyWKAIGYONFZFTME-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-(azepan-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117253551
5-amino-3-(1,1-dioxothian-4-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117250402
methyl 3-(azepan-3-yl)-5-methoxyimidazo[1,5-a]pyridine-1-carboxylate
CID 117252914
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
5-chloro-3-piperidin-4-ylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117252845
6-amino-3-pyrrolidin-3-ylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117251036
methyl 8-amino-3-(azepan-3-yl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117254701
5-chloro-3-(piperidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117253038
5-amino-3-(4-methylphenyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117250835
1-chloro-3-cyclobutylimidazo[1,5-a]pyridin-5-amine
CID 83869325
3-pyrrolidin-3-ylimidazo[1,5-a]pyridine-1,7-dicarboxylic acid
CID 117251581

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(azepan-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 5-amino-3-(azepan-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid (CID 117252921) is 5-amino-3-(azepan-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 5-amino-3-(azepan-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 5-amino-3-(azepan-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid is Nc1cccc2c(C(=O)O)nc(C3CCCCNC3)n12.
What is the InChIKey of 5-amino-3-(azepan-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is WKAIGYONFZFTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c15-11-6-3-5-10-12(14(19)20)17-13(18(10)11)9-4-1-2-7-16-8-9/h3,5-6,9,16H,1-2,4,7-8,15H2,(H,19,20).
What are the key properties of 5-amino-3-(azepan-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid?
5-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 5-amino-3-(azepan-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 117252921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).