5-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)pentanoic acid

C12H18N2O2 — CID 13206168

IUPAC5-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)pentanoic acid
SMILESO=C(O)CCCCC1CCCc2cncn21
InChIInChI=1S/C12H18N2O2/c15-12(16)7-2-1-4-10-5-3-6-11-8-13-9-14(10)11/h8-10H,1-7H2,(H,15,16)
InChIKeyWDLXTEPIKOEDJY-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.41
Rot. Bonds5

About 5-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)pentanoic acid

5-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)pentanoic acid (PubChem CID 13206168) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 5-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)pentanoic acid.

Molecular Properties

Compound Name5-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)pentanoic acid
PubChem CID13206168
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name5-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)pentanoic acid
SMILESO=C(O)CCCCC1CCCc2cncn21
InChIInChI=1S/C12H18N2O2/c15-12(16)7-2-1-4-10-5-3-6-11-8-13-9-14(10)11/h8-10H,1-7H2,(H,15,16)
InChIKeyWDLXTEPIKOEDJY-UHFFFAOYSA-N
XLogP2.41
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)pentanoic acid?
The IUPAC name of 5-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)pentanoic acid (CID 13206168) is 5-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)pentanoic acid.
What is the SMILES notation for 5-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)pentanoic acid?
The canonical SMILES for 5-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)pentanoic acid is O=C(O)CCCCC1CCCc2cncn21.
What is the InChIKey of 5-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)pentanoic acid?
The InChIKey is WDLXTEPIKOEDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c15-12(16)7-2-1-4-10-5-3-6-11-8-13-9-14(10)11/h8-10H,1-7H2,(H,15,16).
What are the key properties of 5-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)pentanoic acid?
5-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)pentanoic acid has a molecular weight of 222.29 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)pentanoic acid is sourced from PubChem (CID 13206168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).