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

C12H14N2O2 — CID 13206153

IUPAC5-imidazo[1,5-a]pyridin-7-ylpentanoic acid
SMILESO=C(O)CCCCc1ccn2cncc2c1
InChIInChI=1S/C12H14N2O2/c15-12(16)4-2-1-3-10-5-6-14-9-13-8-11(14)7-10/h5-9H,1-4H2,(H,15,16)
InChIKeySKMSGJQVORUNMZ-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.13
Rot. Bonds5

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

5-imidazo[1,5-a]pyridin-7-ylpentanoic acid (PubChem CID 13206153) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 5-imidazo[1,5-a]pyridin-7-ylpentanoic acid.

Molecular Properties

Compound Name5-imidazo[1,5-a]pyridin-7-ylpentanoic acid
PubChem CID13206153
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name5-imidazo[1,5-a]pyridin-7-ylpentanoic acid
SMILESO=C(O)CCCCc1ccn2cncc2c1
InChIInChI=1S/C12H14N2O2/c15-12(16)4-2-1-3-10-5-6-14-9-13-8-11(14)7-10/h5-9H,1-4H2,(H,15,16)
InChIKeySKMSGJQVORUNMZ-UHFFFAOYSA-N
XLogP2.13
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.13
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-imidazo[1,5-a]pyridin-7-ylpentanoic acid?
The IUPAC name of 5-imidazo[1,5-a]pyridin-7-ylpentanoic acid (CID 13206153) is 5-imidazo[1,5-a]pyridin-7-ylpentanoic acid.
What is the SMILES notation for 5-imidazo[1,5-a]pyridin-7-ylpentanoic acid?
The canonical SMILES for 5-imidazo[1,5-a]pyridin-7-ylpentanoic acid is O=C(O)CCCCc1ccn2cncc2c1.
What is the InChIKey of 5-imidazo[1,5-a]pyridin-7-ylpentanoic acid?
The InChIKey is SKMSGJQVORUNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c15-12(16)4-2-1-3-10-5-6-14-9-13-8-11(14)7-10/h5-9H,1-4H2,(H,15,16).
What are the key properties of 5-imidazo[1,5-a]pyridin-7-ylpentanoic acid?
5-imidazo[1,5-a]pyridin-7-ylpentanoic acid has a molecular weight of 218.26 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imidazo[1,5-a]pyridin-7-ylpentanoic acid is sourced from PubChem (CID 13206153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).