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

C14H22N2O2 — CID 13206164

IUPAC7-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)heptanoic acid
SMILESO=C(O)CCCCCCC1CCCc2cncn21
InChIInChI=1S/C14H22N2O2/c17-14(18)9-4-2-1-3-6-12-7-5-8-13-10-15-11-16(12)13/h10-12H,1-9H2,(H,17,18)
InChIKeyLCBDNBGNEBFBFG-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.19
Rot. Bonds7

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

7-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)heptanoic acid (PubChem CID 13206164) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 7-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)heptanoic acid.

Molecular Properties

Compound Name7-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)heptanoic acid
PubChem CID13206164
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name7-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)heptanoic acid
SMILESO=C(O)CCCCCCC1CCCc2cncn21
InChIInChI=1S/C14H22N2O2/c17-14(18)9-4-2-1-3-6-12-7-5-8-13-10-15-11-16(12)13/h10-12H,1-9H2,(H,17,18)
InChIKeyLCBDNBGNEBFBFG-UHFFFAOYSA-N
XLogP3.19
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.19
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-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)heptanoic acid?
The IUPAC name of 7-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)heptanoic acid (CID 13206164) is 7-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)heptanoic acid.
What is the SMILES notation for 7-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)heptanoic acid?
The canonical SMILES for 7-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)heptanoic acid is O=C(O)CCCCCCC1CCCc2cncn21.
What is the InChIKey of 7-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)heptanoic acid?
The InChIKey is LCBDNBGNEBFBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c17-14(18)9-4-2-1-3-6-12-7-5-8-13-10-15-11-16(12)13/h10-12H,1-9H2,(H,17,18).
What are the key properties of 7-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)heptanoic acid?
7-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)heptanoic acid has a molecular weight of 250.34 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)heptanoic acid is sourced from PubChem (CID 13206164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).