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

C19H21BrN4O — CID 2757048

IUPAC6-bromo-2-(4-methoxyphenyl)-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine
SMILESCOc1ccc(-c2nc3ccc(Br)cn3c2CN2CCNCC2)cc1
InChIInChI=1S/C19H21BrN4O/c1-25-16-5-2-14(3-6-16)19-17(13-23-10-8-21-9-11-23)24-12-15(20)4-7-18(24)22-19/h2-7,12,21H,8-11,13H2,1H3
InChIKeyKWRSYOAKIITEKL-UHFFFAOYSA-N
MW401.31 g/mol
LogP3.18
Rot. Bonds4

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

6-bromo-2-(4-methoxyphenyl)-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine (PubChem CID 2757048) has the molecular formula C19H21BrN4O and a molecular weight of 401.31 g/mol. Its IUPAC name is 6-bromo-2-(4-methoxyphenyl)-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-bromo-2-(4-methoxyphenyl)-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine
PubChem CID2757048
Molecular FormulaC19H21BrN4O
Molecular Weight401.31 g/mol
Exact Mass400.09
IUPAC Name6-bromo-2-(4-methoxyphenyl)-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine
SMILESCOc1ccc(-c2nc3ccc(Br)cn3c2CN2CCNCC2)cc1
InChIInChI=1S/C19H21BrN4O/c1-25-16-5-2-14(3-6-16)19-17(13-23-10-8-21-9-11-23)24-12-15(20)4-7-18(24)22-19/h2-7,12,21H,8-11,13H2,1H3
InChIKeyKWRSYOAKIITEKL-UHFFFAOYSA-N
XLogP3.18
TPSA41.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.31
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,4-diazepan-1-ylmethyl)-2-(4-methoxyphenyl)-6-(4-methylphenyl)imidazo[1,2-a]pyridine
CID 66555929
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
2-(3-methoxyphenyl)-6-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine
CID 2759685
5-[3-(1,4-diazepan-1-ylmethyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl]thiophene-2-carbonitrile
CID 66555767
6-chloro-3-(piperazin-1-ylmethyl)-2-pyridin-4-ylimidazo[1,2-a]pyridine
CID 39148253
6-(4-methoxyphenyl)-5-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazole;oxalic acid
CID 45156225
2-(4-methylphenyl)-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine
CID 2760437
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-(3,4-dimethoxyphenyl)-7-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine
CID 2758460
N-benzyl-4-[6-bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]butan-2-amine
CID 10115748

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(4-methoxyphenyl)-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 6-bromo-2-(4-methoxyphenyl)-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine (CID 2757048) is 6-bromo-2-(4-methoxyphenyl)-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-bromo-2-(4-methoxyphenyl)-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 6-bromo-2-(4-methoxyphenyl)-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine is COc1ccc(-c2nc3ccc(Br)cn3c2CN2CCNCC2)cc1.
What is the InChIKey of 6-bromo-2-(4-methoxyphenyl)-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine?
The InChIKey is KWRSYOAKIITEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN4O/c1-25-16-5-2-14(3-6-16)19-17(13-23-10-8-21-9-11-23)24-12-15(20)4-7-18(24)22-19/h2-7,12,21H,8-11,13H2,1H3.
What are the key properties of 6-bromo-2-(4-methoxyphenyl)-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine?
6-bromo-2-(4-methoxyphenyl)-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine has a molecular weight of 401.31 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(4-methoxyphenyl)-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 2757048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).