3-(1,4-diazepan-1-ylmethyl)-2-(4-methoxyphenyl)-6-(4-methylphenyl)imidazo[1,2-a]pyridine

C27H30N4O — CID 66555929

IUPAC3-(1,4-diazepan-1-ylmethyl)-2-(4-methoxyphenyl)-6-(4-methylphenyl)imidazo[1,2-a]pyridine
SMILESCOc1ccc(-c2nc3ccc(-c4ccc(C)cc4)cn3c2CN2CCCNCC2)cc1
InChIInChI=1S/C27H30N4O/c1-20-4-6-21(7-5-20)23-10-13-26-29-27(22-8-11-24(32-2)12-9-22)25(31(26)18-23)19-30-16-3-14-28-15-17-30/h4-13,18,28H,3,14-17,19H2,1-2H3
InChIKeyZJUMQIBCYZESMK-UHFFFAOYSA-N
MW426.56 g/mol
LogP4.78
Rot. Bonds5

About 3-(1,4-diazepan-1-ylmethyl)-2-(4-methoxyphenyl)-6-(4-methylphenyl)imidazo[1,2-a]pyridine

3-(1,4-diazepan-1-ylmethyl)-2-(4-methoxyphenyl)-6-(4-methylphenyl)imidazo[1,2-a]pyridine (PubChem CID 66555929) has the molecular formula C27H30N4O and a molecular weight of 426.56 g/mol. Its IUPAC name is 3-(1,4-diazepan-1-ylmethyl)-2-(4-methoxyphenyl)-6-(4-methylphenyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(1,4-diazepan-1-ylmethyl)-2-(4-methoxyphenyl)-6-(4-methylphenyl)imidazo[1,2-a]pyridine
PubChem CID66555929
Molecular FormulaC27H30N4O
Molecular Weight426.56 g/mol
Exact Mass426.24
IUPAC Name3-(1,4-diazepan-1-ylmethyl)-2-(4-methoxyphenyl)-6-(4-methylphenyl)imidazo[1,2-a]pyridine
SMILESCOc1ccc(-c2nc3ccc(-c4ccc(C)cc4)cn3c2CN2CCCNCC2)cc1
InChIInChI=1S/C27H30N4O/c1-20-4-6-21(7-5-20)23-10-13-26-29-27(22-8-11-24(32-2)12-9-22)25(31(26)18-23)19-30-16-3-14-28-15-17-30/h4-13,18,28H,3,14-17,19H2,1-2H3
InChIKeyZJUMQIBCYZESMK-UHFFFAOYSA-N
XLogP4.78
TPSA41.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,4-diazepan-1-ylmethyl)-6-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine
CID 66556606
3-(1,4-diazepan-1-ylmethyl)-2-(4-methoxyphenyl)-6-thiophen-2-ylimidazo[1,2-a]pyridine
CID 90312078
5-[3-(1,4-diazepan-1-ylmethyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl]thiophene-2-carbonitrile
CID 66555767
6-bromo-2-(4-methoxyphenyl)-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine
CID 2757048
2-(3-methoxyphenyl)-6-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine
CID 2759685
2-(4-methoxyphenyl)-3-[(4-methyl-1,4-diazepan-1-yl)methyl]-6-pyridin-4-ylimidazo[1,2-a]pyridine
CID 66556604
4-[3-(1,4-diazepan-1-ylmethyl)-6-pyrimidin-5-ylimidazo[1,2-a]pyridin-2-yl]benzonitrile
CID 66555596
2-(4-methylphenyl)-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine
CID 2760437
2-(4-chlorophenyl)-3-(1,4-diazepan-1-ylmethyl)-6-(1-methylpyrrol-2-yl)imidazo[1,2-a]pyridine
CID 66554564
2-(4-chlorophenyl)-3-(1,4-diazepan-1-ylmethyl)-6-thiophen-2-ylimidazo[1,2-a]pyridine
CID 90312529
[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanol
CID 39125896
cyclobutyl-[4-[[6-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
CID 83285824

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-diazepan-1-ylmethyl)-2-(4-methoxyphenyl)-6-(4-methylphenyl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-(1,4-diazepan-1-ylmethyl)-2-(4-methoxyphenyl)-6-(4-methylphenyl)imidazo[1,2-a]pyridine (CID 66555929) is 3-(1,4-diazepan-1-ylmethyl)-2-(4-methoxyphenyl)-6-(4-methylphenyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(1,4-diazepan-1-ylmethyl)-2-(4-methoxyphenyl)-6-(4-methylphenyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-(1,4-diazepan-1-ylmethyl)-2-(4-methoxyphenyl)-6-(4-methylphenyl)imidazo[1,2-a]pyridine is COc1ccc(-c2nc3ccc(-c4ccc(C)cc4)cn3c2CN2CCCNCC2)cc1.
What is the InChIKey of 3-(1,4-diazepan-1-ylmethyl)-2-(4-methoxyphenyl)-6-(4-methylphenyl)imidazo[1,2-a]pyridine?
The InChIKey is ZJUMQIBCYZESMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O/c1-20-4-6-21(7-5-20)23-10-13-26-29-27(22-8-11-24(32-2)12-9-22)25(31(26)18-23)19-30-16-3-14-28-15-17-30/h4-13,18,28H,3,14-17,19H2,1-2H3.
What are the key properties of 3-(1,4-diazepan-1-ylmethyl)-2-(4-methoxyphenyl)-6-(4-methylphenyl)imidazo[1,2-a]pyridine?
3-(1,4-diazepan-1-ylmethyl)-2-(4-methoxyphenyl)-6-(4-methylphenyl)imidazo[1,2-a]pyridine has a molecular weight of 426.56 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-diazepan-1-ylmethyl)-2-(4-methoxyphenyl)-6-(4-methylphenyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 66555929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).