2-(3,4-dimethoxyphenyl)-7-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine

C21H26N4O2 — CID 2758460

IUPAC2-(3,4-dimethoxyphenyl)-7-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine
SMILESCOc1ccc(-c2nc3cc(C)ccn3c2CN2CCNCC2)cc1OC
InChIInChI=1S/C21H26N4O2/c1-15-6-9-25-17(14-24-10-7-22-8-11-24)21(23-20(25)12-15)16-4-5-18(26-2)19(13-16)27-3/h4-6,9,12-13,22H,7-8,10-11,14H2,1-3H3
InChIKeyVCIROMBPJQSVIK-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.73
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-7-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine

2-(3,4-dimethoxyphenyl)-7-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine (PubChem CID 2758460) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-7-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-7-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine
PubChem CID2758460
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name2-(3,4-dimethoxyphenyl)-7-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine
SMILESCOc1ccc(-c2nc3cc(C)ccn3c2CN2CCNCC2)cc1OC
InChIInChI=1S/C21H26N4O2/c1-15-6-9-25-17(14-24-10-7-22-8-11-24)21(23-20(25)12-15)16-4-5-18(26-2)19(13-16)27-3/h4-6,9,12-13,22H,7-8,10-11,14H2,1-3H3
InChIKeyVCIROMBPJQSVIK-UHFFFAOYSA-N
XLogP2.73
TPSA51.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(3,4-dimethoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 39127665
2-(4-methylphenyl)-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine
CID 2760437
2-(3,4-dimethoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-amine;hydrochloride
CID 117068595
1-[2-(4-methoxy-3-methylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-N,N-dimethylmethanamine
CID 39145993
2-(3-methoxyphenyl)-6-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine
CID 2759685
4-[7-methyl-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]aniline
CID 82028975
3-[3-(azepan-1-ylmethyl)-7-methylimidazo[1,2-a]pyridin-2-yl]aniline
CID 39120553
3-(1,4-diazepan-1-ylmethyl)-2-(4-methoxyphenyl)-6-(4-methylphenyl)imidazo[1,2-a]pyridine
CID 66555929
(E)-3-[2-(3,4-dimethoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate
CID 7023668
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-(3,4-dimethylphenyl)-5-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine
CID 39146345

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-7-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-7-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine (CID 2758460) is 2-(3,4-dimethoxyphenyl)-7-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-7-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-7-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine is COc1ccc(-c2nc3cc(C)ccn3c2CN2CCNCC2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-7-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine?
The InChIKey is VCIROMBPJQSVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-15-6-9-25-17(14-24-10-7-22-8-11-24)21(23-20(25)12-15)16-4-5-18(26-2)19(13-16)27-3/h4-6,9,12-13,22H,7-8,10-11,14H2,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-7-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine?
2-(3,4-dimethoxyphenyl)-7-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine has a molecular weight of 366.47 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-7-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 2758460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).