7-(1,2-dihydroimidazo[4,5-c]pyridin-3-yl)heptanoic acid

C13H19N3O2 — CID 22162777

IUPAC7-(1,2-dihydroimidazo[4,5-c]pyridin-3-yl)heptanoic acid
SMILESO=C(O)CCCCCCN1CNc2ccncc21
InChIInChI=1S/C13H19N3O2/c17-13(18)5-3-1-2-4-8-16-10-15-11-6-7-14-9-12(11)16/h6-7,9,15H,1-5,8,10H2,(H,17,18)
InChIKeyKNFHGSQBRVWAFT-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.31
Rot. Bonds7

About 7-(1,2-dihydroimidazo[4,5-c]pyridin-3-yl)heptanoic acid

7-(1,2-dihydroimidazo[4,5-c]pyridin-3-yl)heptanoic acid (PubChem CID 22162777) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 7-(1,2-dihydroimidazo[4,5-c]pyridin-3-yl)heptanoic acid.

Molecular Properties

Compound Name7-(1,2-dihydroimidazo[4,5-c]pyridin-3-yl)heptanoic acid
PubChem CID22162777
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name7-(1,2-dihydroimidazo[4,5-c]pyridin-3-yl)heptanoic acid
SMILESO=C(O)CCCCCCN1CNc2ccncc21
InChIInChI=1S/C13H19N3O2/c17-13(18)5-3-1-2-4-8-16-10-15-11-6-7-14-9-12(11)16/h6-7,9,15H,1-5,8,10H2,(H,17,18)
InChIKeyKNFHGSQBRVWAFT-UHFFFAOYSA-N
XLogP2.31
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(1,2-dihydroimidazo[4,5-c]pyridin-3-yl)heptanoic acid?
The IUPAC name of 7-(1,2-dihydroimidazo[4,5-c]pyridin-3-yl)heptanoic acid (CID 22162777) is 7-(1,2-dihydroimidazo[4,5-c]pyridin-3-yl)heptanoic acid.
What is the SMILES notation for 7-(1,2-dihydroimidazo[4,5-c]pyridin-3-yl)heptanoic acid?
The canonical SMILES for 7-(1,2-dihydroimidazo[4,5-c]pyridin-3-yl)heptanoic acid is O=C(O)CCCCCCN1CNc2ccncc21.
What is the InChIKey of 7-(1,2-dihydroimidazo[4,5-c]pyridin-3-yl)heptanoic acid?
The InChIKey is KNFHGSQBRVWAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c17-13(18)5-3-1-2-4-8-16-10-15-11-6-7-14-9-12(11)16/h6-7,9,15H,1-5,8,10H2,(H,17,18).
What are the key properties of 7-(1,2-dihydroimidazo[4,5-c]pyridin-3-yl)heptanoic acid?
7-(1,2-dihydroimidazo[4,5-c]pyridin-3-yl)heptanoic acid has a molecular weight of 249.31 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,2-dihydroimidazo[4,5-c]pyridin-3-yl)heptanoic acid is sourced from PubChem (CID 22162777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).