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

C24H26N4OS — CID 90312078

IUPAC3-(1,4-diazepan-1-ylmethyl)-2-(4-methoxyphenyl)-6-thiophen-2-ylimidazo[1,2-a]pyridine
SMILESCOc1ccc(-c2nc3ccc(-c4cccs4)cn3c2CN2CCCNCC2)cc1
InChIInChI=1S/C24H26N4OS/c1-29-20-8-5-18(6-9-20)24-21(17-27-13-3-11-25-12-14-27)28-16-19(7-10-23(28)26-24)22-4-2-15-30-22/h2,4-10,15-16,25H,3,11-14,17H2,1H3
InChIKeySJRXYBNSUDJSCH-UHFFFAOYSA-N
MW418.57 g/mol
LogP4.53
Rot. Bonds5

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

3-(1,4-diazepan-1-ylmethyl)-2-(4-methoxyphenyl)-6-thiophen-2-ylimidazo[1,2-a]pyridine (PubChem CID 90312078) has the molecular formula C24H26N4OS and a molecular weight of 418.57 g/mol. Its IUPAC name is 3-(1,4-diazepan-1-ylmethyl)-2-(4-methoxyphenyl)-6-thiophen-2-ylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(1,4-diazepan-1-ylmethyl)-2-(4-methoxyphenyl)-6-thiophen-2-ylimidazo[1,2-a]pyridine
PubChem CID90312078
Molecular FormulaC24H26N4OS
Molecular Weight418.57 g/mol
Exact Mass418.18
IUPAC Name3-(1,4-diazepan-1-ylmethyl)-2-(4-methoxyphenyl)-6-thiophen-2-ylimidazo[1,2-a]pyridine
SMILESCOc1ccc(-c2nc3ccc(-c4cccs4)cn3c2CN2CCCNCC2)cc1
InChIInChI=1S/C24H26N4OS/c1-29-20-8-5-18(6-9-20)24-21(17-27-13-3-11-25-12-14-27)28-16-19(7-10-23(28)26-24)22-4-2-15-30-22/h2,4-10,15-16,25H,3,11-14,17H2,1H3
InChIKeySJRXYBNSUDJSCH-UHFFFAOYSA-N
XLogP4.53
TPSA41.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.57
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(1,4-diazepan-1-ylmethyl)-2-(4-methoxyphenyl)-6-thiophen-2-ylimidazo[1,2-a]pyridine with MolForge

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Related Compounds

2-(4-chlorophenyl)-3-(1,4-diazepan-1-ylmethyl)-6-thiophen-2-ylimidazo[1,2-a]pyridine
CID 90312529
3-(1,4-diazepan-1-ylmethyl)-2-(4-methoxyphenyl)-6-(4-methylphenyl)imidazo[1,2-a]pyridine
CID 66555929
5-[3-(1,4-diazepan-1-ylmethyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl]thiophene-2-carbonitrile
CID 66555767
3-(1,4-diazepan-1-ylmethyl)-6-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine
CID 66556606
6-bromo-2-(4-methoxyphenyl)-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine
CID 2757048
2-(4-methoxyphenyl)-3-[(4-methyl-1,4-diazepan-1-yl)methyl]-6-pyridin-4-ylimidazo[1,2-a]pyridine
CID 66556604
2-(4-chlorophenyl)-3-(1,4-diazepan-1-ylmethyl)-6-(1-methylpyrrol-2-yl)imidazo[1,2-a]pyridine
CID 66554564
2-(3-methoxyphenyl)-6-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine
CID 2759685
6-(4-methoxyphenyl)-5-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazole;oxalic acid
CID 45156225
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
5-(1,4-diazepan-1-ylmethyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 43162484

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-diazepan-1-ylmethyl)-2-(4-methoxyphenyl)-6-thiophen-2-ylimidazo[1,2-a]pyridine?
The IUPAC name of 3-(1,4-diazepan-1-ylmethyl)-2-(4-methoxyphenyl)-6-thiophen-2-ylimidazo[1,2-a]pyridine (CID 90312078) is 3-(1,4-diazepan-1-ylmethyl)-2-(4-methoxyphenyl)-6-thiophen-2-ylimidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(1,4-diazepan-1-ylmethyl)-2-(4-methoxyphenyl)-6-thiophen-2-ylimidazo[1,2-a]pyridine?
The canonical SMILES for 3-(1,4-diazepan-1-ylmethyl)-2-(4-methoxyphenyl)-6-thiophen-2-ylimidazo[1,2-a]pyridine is COc1ccc(-c2nc3ccc(-c4cccs4)cn3c2CN2CCCNCC2)cc1.
What is the InChIKey of 3-(1,4-diazepan-1-ylmethyl)-2-(4-methoxyphenyl)-6-thiophen-2-ylimidazo[1,2-a]pyridine?
The InChIKey is SJRXYBNSUDJSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4OS/c1-29-20-8-5-18(6-9-20)24-21(17-27-13-3-11-25-12-14-27)28-16-19(7-10-23(28)26-24)22-4-2-15-30-22/h2,4-10,15-16,25H,3,11-14,17H2,1H3.
What are the key properties of 3-(1,4-diazepan-1-ylmethyl)-2-(4-methoxyphenyl)-6-thiophen-2-ylimidazo[1,2-a]pyridine?
3-(1,4-diazepan-1-ylmethyl)-2-(4-methoxyphenyl)-6-thiophen-2-ylimidazo[1,2-a]pyridine has a molecular weight of 418.57 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-diazepan-1-ylmethyl)-2-(4-methoxyphenyl)-6-thiophen-2-ylimidazo[1,2-a]pyridine is sourced from PubChem (CID 90312078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).