7-imidazo[1,5-a]pyridin-5-ylheptanoic acid

C14H18N2O2 — CID 13206139

IUPAC7-imidazo[1,5-a]pyridin-5-ylheptanoic acid
SMILESO=C(O)CCCCCCc1cccc2cncn12
InChIInChI=1S/C14H18N2O2/c17-14(18)9-4-2-1-3-6-12-7-5-8-13-10-15-11-16(12)13/h5,7-8,10-11H,1-4,6,9H2,(H,17,18)
InChIKeyBFEMYUYLRMDTQI-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.91
Rot. Bonds7

About 7-imidazo[1,5-a]pyridin-5-ylheptanoic acid

7-imidazo[1,5-a]pyridin-5-ylheptanoic acid (PubChem CID 13206139) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 7-imidazo[1,5-a]pyridin-5-ylheptanoic acid.

Molecular Properties

Compound Name7-imidazo[1,5-a]pyridin-5-ylheptanoic acid
PubChem CID13206139
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name7-imidazo[1,5-a]pyridin-5-ylheptanoic acid
SMILESO=C(O)CCCCCCc1cccc2cncn12
InChIInChI=1S/C14H18N2O2/c17-14(18)9-4-2-1-3-6-12-7-5-8-13-10-15-11-16(12)13/h5,7-8,10-11H,1-4,6,9H2,(H,17,18)
InChIKeyBFEMYUYLRMDTQI-UHFFFAOYSA-N
XLogP2.91
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.91
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 7-imidazo[1,5-a]pyridin-5-ylheptanoic acid?
The IUPAC name of 7-imidazo[1,5-a]pyridin-5-ylheptanoic acid (CID 13206139) is 7-imidazo[1,5-a]pyridin-5-ylheptanoic acid.
What is the SMILES notation for 7-imidazo[1,5-a]pyridin-5-ylheptanoic acid?
The canonical SMILES for 7-imidazo[1,5-a]pyridin-5-ylheptanoic acid is O=C(O)CCCCCCc1cccc2cncn12.
What is the InChIKey of 7-imidazo[1,5-a]pyridin-5-ylheptanoic acid?
The InChIKey is BFEMYUYLRMDTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c17-14(18)9-4-2-1-3-6-12-7-5-8-13-10-15-11-16(12)13/h5,7-8,10-11H,1-4,6,9H2,(H,17,18).
What are the key properties of 7-imidazo[1,5-a]pyridin-5-ylheptanoic acid?
7-imidazo[1,5-a]pyridin-5-ylheptanoic acid has a molecular weight of 246.31 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-imidazo[1,5-a]pyridin-5-ylheptanoic acid is sourced from PubChem (CID 13206139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).