7-[2-(3,3-diethoxypropyl)-4-pyridinyl]imidazo[1,2-a]pyridine

C19H23N3O2 — CID 68546003

IUPAC7-[2-(3,3-diethoxypropyl)-4-pyridinyl]imidazo[1,2-a]pyridine
SMILESCCOC(CCc1cc(-c2ccn3ccnc3c2)ccn1)OCC
InChIInChI=1S/C19H23N3O2/c1-3-23-19(24-4-2)6-5-17-13-15(7-9-20-17)16-8-11-22-12-10-21-18(22)14-16/h7-14,19H,3-6H2,1-2H3
InChIKeyVDWBVIBDTMIQJB-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.73
Rot. Bonds8

About 7-[2-(3,3-diethoxypropyl)-4-pyridinyl]imidazo[1,2-a]pyridine

7-[2-(3,3-diethoxypropyl)-4-pyridinyl]imidazo[1,2-a]pyridine (PubChem CID 68546003) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 7-[2-(3,3-diethoxypropyl)-4-pyridinyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name7-[2-(3,3-diethoxypropyl)-4-pyridinyl]imidazo[1,2-a]pyridine
PubChem CID68546003
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name7-[2-(3,3-diethoxypropyl)-4-pyridinyl]imidazo[1,2-a]pyridine
SMILESCCOC(CCc1cc(-c2ccn3ccnc3c2)ccn1)OCC
InChIInChI=1S/C19H23N3O2/c1-3-23-19(24-4-2)6-5-17-13-15(7-9-20-17)16-8-11-22-12-10-21-18(22)14-16/h7-14,19H,3-6H2,1-2H3
InChIKeyVDWBVIBDTMIQJB-UHFFFAOYSA-N
XLogP3.73
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(3,3-diethoxypropyl)-4-pyridinyl]imidazo[1,2-a]pyridine?
The IUPAC name of 7-[2-(3,3-diethoxypropyl)-4-pyridinyl]imidazo[1,2-a]pyridine (CID 68546003) is 7-[2-(3,3-diethoxypropyl)-4-pyridinyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 7-[2-(3,3-diethoxypropyl)-4-pyridinyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 7-[2-(3,3-diethoxypropyl)-4-pyridinyl]imidazo[1,2-a]pyridine is CCOC(CCc1cc(-c2ccn3ccnc3c2)ccn1)OCC.
What is the InChIKey of 7-[2-(3,3-diethoxypropyl)-4-pyridinyl]imidazo[1,2-a]pyridine?
The InChIKey is VDWBVIBDTMIQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-3-23-19(24-4-2)6-5-17-13-15(7-9-20-17)16-8-11-22-12-10-21-18(22)14-16/h7-14,19H,3-6H2,1-2H3.
What are the key properties of 7-[2-(3,3-diethoxypropyl)-4-pyridinyl]imidazo[1,2-a]pyridine?
7-[2-(3,3-diethoxypropyl)-4-pyridinyl]imidazo[1,2-a]pyridine has a molecular weight of 325.41 g/mol, XLogP of 3.73, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(3,3-diethoxypropyl)-4-pyridinyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 68546003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).