6-cyclohexa-1,5-dien-1-yl-2-(4-methylphenyl)-3-[(4-prop-2-enylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine

C28H32N4 — CID 144748059

IUPAC6-cyclohexa-1,5-dien-1-yl-2-(4-methylphenyl)-3-[(4-prop-2-enylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine
SMILESC=CCN1CCN(Cc2c(-c3ccc(C)cc3)nc3ccc(C4=CCCC=C4)cn23)CC1
InChIInChI=1S/C28H32N4/c1-3-15-30-16-18-31(19-17-30)21-26-28(24-11-9-22(2)10-12-24)29-27-14-13-25(20-32(26)27)23-7-5-4-6-8-23/h3,5,7-14,20H,1,4,6,15-19,21H2,2H3
InChIKeySWDUUJMYMGIYFO-UHFFFAOYSA-N
MW424.59 g/mol
LogP5.35
Rot. Bonds6

About 6-cyclohexa-1,5-dien-1-yl-2-(4-methylphenyl)-3-[(4-prop-2-enylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine

6-cyclohexa-1,5-dien-1-yl-2-(4-methylphenyl)-3-[(4-prop-2-enylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine (PubChem CID 144748059) has the molecular formula C28H32N4 and a molecular weight of 424.59 g/mol. Its IUPAC name is 6-cyclohexa-1,5-dien-1-yl-2-(4-methylphenyl)-3-[(4-prop-2-enylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-cyclohexa-1,5-dien-1-yl-2-(4-methylphenyl)-3-[(4-prop-2-enylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine
PubChem CID144748059
Molecular FormulaC28H32N4
Molecular Weight424.59 g/mol
Exact Mass424.26
IUPAC Name6-cyclohexa-1,5-dien-1-yl-2-(4-methylphenyl)-3-[(4-prop-2-enylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine
SMILESC=CCN1CCN(Cc2c(-c3ccc(C)cc3)nc3ccc(C4=CCCC=C4)cn23)CC1
InChIInChI=1S/C28H32N4/c1-3-15-30-16-18-31(19-17-30)21-26-28(24-11-9-22(2)10-12-24)29-27-14-13-25(20-32(26)27)23-7-5-4-6-8-23/h3,5,7-14,20H,1,4,6,15-19,21H2,2H3
InChIKeySWDUUJMYMGIYFO-UHFFFAOYSA-N
XLogP5.35
TPSA23.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.59
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-cyclohexa-1,5-dien-1-yl-2-(4-methylphenyl)-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine
CID 144747931
2-[2-(4-methylphenyl)-3-[(4-prop-1-en-2-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]cyclohexa-1,3-diene-1-carbonitrile
CID 144747984
2-(4-methylphenyl)-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridin-6-amine
CID 165344231
1-[4-[[6-(4-acetylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-3-methylbutan-1-one
CID 83272328
3-(1,4-diazepan-1-ylmethyl)-2-(4-methoxyphenyl)-6-(4-methylphenyl)imidazo[1,2-a]pyridine
CID 66555929
1-[4-[2-(4-methylphenyl)-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]phenyl]ethanone
CID 83272329
3-[[4-(cyclopentylmethyl)piperazin-1-yl]methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine
CID 155082855
2-(4-methylphenyl)-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine
CID 2760437
1-[4-[[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]propan-1-one
CID 83281402
(3S)-3-[4-[(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]thiolane 1,1-dioxide
CID 30693470
N-methyl-1-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 70326815
2-(4-methoxyphenyl)-3-[(4-methyl-1,4-diazepan-1-yl)methyl]-6-pyridin-4-ylimidazo[1,2-a]pyridine
CID 66556604

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexa-1,5-dien-1-yl-2-(4-methylphenyl)-3-[(4-prop-2-enylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine?
The IUPAC name of 6-cyclohexa-1,5-dien-1-yl-2-(4-methylphenyl)-3-[(4-prop-2-enylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine (CID 144748059) is 6-cyclohexa-1,5-dien-1-yl-2-(4-methylphenyl)-3-[(4-prop-2-enylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-cyclohexa-1,5-dien-1-yl-2-(4-methylphenyl)-3-[(4-prop-2-enylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 6-cyclohexa-1,5-dien-1-yl-2-(4-methylphenyl)-3-[(4-prop-2-enylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine is C=CCN1CCN(Cc2c(-c3ccc(C)cc3)nc3ccc(C4=CCCC=C4)cn23)CC1.
What is the InChIKey of 6-cyclohexa-1,5-dien-1-yl-2-(4-methylphenyl)-3-[(4-prop-2-enylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine?
The InChIKey is SWDUUJMYMGIYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4/c1-3-15-30-16-18-31(19-17-30)21-26-28(24-11-9-22(2)10-12-24)29-27-14-13-25(20-32(26)27)23-7-5-4-6-8-23/h3,5,7-14,20H,1,4,6,15-19,21H2,2H3.
What are the key properties of 6-cyclohexa-1,5-dien-1-yl-2-(4-methylphenyl)-3-[(4-prop-2-enylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine?
6-cyclohexa-1,5-dien-1-yl-2-(4-methylphenyl)-3-[(4-prop-2-enylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine has a molecular weight of 424.59 g/mol, XLogP of 5.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexa-1,5-dien-1-yl-2-(4-methylphenyl)-3-[(4-prop-2-enylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 144748059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).