3-[4-[2-(5-bromo-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N,N-dimethylpropan-1-amine

C24H32BrN5O2 — CID 135334983

IUPAC3-[4-[2-(5-bromo-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N,N-dimethylpropan-1-amine
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCN(CCCN(C)C)CC4)cc3n2)cc1Br
InChIInChI=1S/C24H32BrN5O2/c1-27(2)7-5-8-28-10-12-29(13-11-28)18-6-9-30-17-21(26-24(30)14-18)19-15-20(25)23(32-4)16-22(19)31-3/h6,9,14-17H,5,7-8,10-13H2,1-4H3
InChIKeyUFUNYHNBSBQANM-UHFFFAOYSA-N
MW502.46 g/mol
LogP3.85
Rot. Bonds8

About 3-[4-[2-(5-bromo-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N,N-dimethylpropan-1-amine

3-[4-[2-(5-bromo-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N,N-dimethylpropan-1-amine (PubChem CID 135334983) has the molecular formula C24H32BrN5O2 and a molecular weight of 502.46 g/mol. Its IUPAC name is 3-[4-[2-(5-bromo-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[4-[2-(5-bromo-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N,N-dimethylpropan-1-amine
PubChem CID135334983
Molecular FormulaC24H32BrN5O2
Molecular Weight502.46 g/mol
Exact Mass501.17
IUPAC Name3-[4-[2-(5-bromo-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N,N-dimethylpropan-1-amine
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCN(CCCN(C)C)CC4)cc3n2)cc1Br
InChIInChI=1S/C24H32BrN5O2/c1-27(2)7-5-8-28-10-12-29(13-11-28)18-6-9-30-17-21(26-24(30)14-18)19-15-20(25)23(32-4)16-22(19)31-3/h6,9,14-17H,5,7-8,10-13H2,1-4H3
InChIKeyUFUNYHNBSBQANM-UHFFFAOYSA-N
XLogP3.85
TPSA45.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.46
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(5-bromo-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[4-[2-(5-bromo-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N,N-dimethylpropan-1-amine (CID 135334983) is 3-[4-[2-(5-bromo-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[4-[2-(5-bromo-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[4-[2-(5-bromo-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N,N-dimethylpropan-1-amine is COc1cc(OC)c(-c2cn3ccc(N4CCN(CCCN(C)C)CC4)cc3n2)cc1Br.
What is the InChIKey of 3-[4-[2-(5-bromo-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N,N-dimethylpropan-1-amine?
The InChIKey is UFUNYHNBSBQANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32BrN5O2/c1-27(2)7-5-8-28-10-12-29(13-11-28)18-6-9-30-17-21(26-24(30)14-18)19-15-20(25)23(32-4)16-22(19)31-3/h6,9,14-17H,5,7-8,10-13H2,1-4H3.
What are the key properties of 3-[4-[2-(5-bromo-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N,N-dimethylpropan-1-amine?
3-[4-[2-(5-bromo-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N,N-dimethylpropan-1-amine has a molecular weight of 502.46 g/mol, XLogP of 3.85, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(5-bromo-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 135334983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).