3-(2-cyclohexa-1,3-dien-1-yl-3,4-dihydropyridin-6-yl)-1-phenylimidazo[1,5-a]pyridine

C24H21N3 — CID 170377192

IUPAC3-(2-cyclohexa-1,3-dien-1-yl-3,4-dihydropyridin-6-yl)-1-phenylimidazo[1,5-a]pyridine
SMILESC1=CCCC(C2=NC(c3nc(-c4ccccc4)c4ccccn34)=CCC2)=C1
InChIInChI=1S/C24H21N3/c1-3-10-18(11-4-1)20-14-9-15-21(25-20)24-26-23(19-12-5-2-6-13-19)22-16-7-8-17-27(22)24/h1-3,5-8,10,12-13,15-17H,4,9,11,14H2
InChIKeyMFCOCJOWEGMFNH-UHFFFAOYSA-N
MW351.45 g/mol
LogP5.85
Rot. Bonds3

About 3-(2-cyclohexa-1,3-dien-1-yl-3,4-dihydropyridin-6-yl)-1-phenylimidazo[1,5-a]pyridine

3-(2-cyclohexa-1,3-dien-1-yl-3,4-dihydropyridin-6-yl)-1-phenylimidazo[1,5-a]pyridine (PubChem CID 170377192) has the molecular formula C24H21N3 and a molecular weight of 351.45 g/mol. Its IUPAC name is 3-(2-cyclohexa-1,3-dien-1-yl-3,4-dihydropyridin-6-yl)-1-phenylimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name3-(2-cyclohexa-1,3-dien-1-yl-3,4-dihydropyridin-6-yl)-1-phenylimidazo[1,5-a]pyridine
PubChem CID170377192
Molecular FormulaC24H21N3
Molecular Weight351.45 g/mol
Exact Mass351.17
IUPAC Name3-(2-cyclohexa-1,3-dien-1-yl-3,4-dihydropyridin-6-yl)-1-phenylimidazo[1,5-a]pyridine
SMILESC1=CCCC(C2=NC(c3nc(-c4ccccc4)c4ccccn34)=CCC2)=C1
InChIInChI=1S/C24H21N3/c1-3-10-18(11-4-1)20-14-9-15-21(25-20)24-26-23(19-12-5-2-6-13-19)22-16-7-8-17-27(22)24/h1-3,5-8,10,12-13,15-17H,4,9,11,14H2
InChIKeyMFCOCJOWEGMFNH-UHFFFAOYSA-N
XLogP5.85
TPSA29.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.45
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclohexa-1,3-dien-1-yl-3,4-dihydropyridin-6-yl)-1-phenylimidazo[1,5-a]pyridine?
The IUPAC name of 3-(2-cyclohexa-1,3-dien-1-yl-3,4-dihydropyridin-6-yl)-1-phenylimidazo[1,5-a]pyridine (CID 170377192) is 3-(2-cyclohexa-1,3-dien-1-yl-3,4-dihydropyridin-6-yl)-1-phenylimidazo[1,5-a]pyridine.
What is the SMILES notation for 3-(2-cyclohexa-1,3-dien-1-yl-3,4-dihydropyridin-6-yl)-1-phenylimidazo[1,5-a]pyridine?
The canonical SMILES for 3-(2-cyclohexa-1,3-dien-1-yl-3,4-dihydropyridin-6-yl)-1-phenylimidazo[1,5-a]pyridine is C1=CCCC(C2=NC(c3nc(-c4ccccc4)c4ccccn34)=CCC2)=C1.
What is the InChIKey of 3-(2-cyclohexa-1,3-dien-1-yl-3,4-dihydropyridin-6-yl)-1-phenylimidazo[1,5-a]pyridine?
The InChIKey is MFCOCJOWEGMFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3/c1-3-10-18(11-4-1)20-14-9-15-21(25-20)24-26-23(19-12-5-2-6-13-19)22-16-7-8-17-27(22)24/h1-3,5-8,10,12-13,15-17H,4,9,11,14H2.
What are the key properties of 3-(2-cyclohexa-1,3-dien-1-yl-3,4-dihydropyridin-6-yl)-1-phenylimidazo[1,5-a]pyridine?
3-(2-cyclohexa-1,3-dien-1-yl-3,4-dihydropyridin-6-yl)-1-phenylimidazo[1,5-a]pyridine has a molecular weight of 351.45 g/mol, XLogP of 5.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclohexa-1,3-dien-1-yl-3,4-dihydropyridin-6-yl)-1-phenylimidazo[1,5-a]pyridine is sourced from PubChem (CID 170377192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).