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

C14H16ClN3O2 — CID 117253553

IUPAC3-(azepan-3-yl)-6-chloroimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESO=C(O)c1nc(C2CCCCNC2)n2cc(Cl)ccc12
InChIInChI=1S/C14H16ClN3O2/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,1-3,6-7H2,(H,19,20)
InChIKeyLSQDIQGZABSUFZ-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.54
Rot. Bonds2

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

3-(azepan-3-yl)-6-chloroimidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 117253553) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 3-(azepan-3-yl)-6-chloroimidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name3-(azepan-3-yl)-6-chloroimidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID117253553
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name3-(azepan-3-yl)-6-chloroimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESO=C(O)c1nc(C2CCCCNC2)n2cc(Cl)ccc12
InChIInChI=1S/C14H16ClN3O2/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,1-3,6-7H2,(H,19,20)
InChIKeyLSQDIQGZABSUFZ-UHFFFAOYSA-N
XLogP2.54
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-3-(azepan-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117253551
6-amino-3-pyrrolidin-3-ylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117251036
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
5-amino-3-(azepan-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117252921
3-(azetidin-3-yl)-6-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117253497
6-chloro-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117253630
3-pyrrolidin-3-ylimidazo[1,5-a]pyridine-1,7-dicarboxylic acid
CID 117251581
6-chloro-3-[(cyclopentylamino)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255326
methyl 6-methoxy-3-pyrrolidin-3-ylimidazo[1,5-a]pyridine-1-carboxylate
CID 117253518
1,7-dichloro-3-piperidin-3-ylimidazo[1,5-a]pyridine
CID 117254087
1-bromo-3-piperidin-3-ylimidazo[1,5-a]pyridine-7-carboxylic acid
CID 84744775

Frequently Asked Questions

What is the IUPAC name of 3-(azepan-3-yl)-6-chloroimidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 3-(azepan-3-yl)-6-chloroimidazo[1,5-a]pyridine-1-carboxylic acid (CID 117253553) is 3-(azepan-3-yl)-6-chloroimidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 3-(azepan-3-yl)-6-chloroimidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 3-(azepan-3-yl)-6-chloroimidazo[1,5-a]pyridine-1-carboxylic acid is O=C(O)c1nc(C2CCCCNC2)n2cc(Cl)ccc12.
What is the InChIKey of 3-(azepan-3-yl)-6-chloroimidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is LSQDIQGZABSUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/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,1-3,6-7H2,(H,19,20).
What are the key properties of 3-(azepan-3-yl)-6-chloroimidazo[1,5-a]pyridine-1-carboxylic acid?
3-(azepan-3-yl)-6-chloroimidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 293.75 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-3-yl)-6-chloroimidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 117253553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).