5-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N-methylpyrimidin-2-amine

C24H26ClN7O2 — CID 135335105

IUPAC5-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N-methylpyrimidin-2-amine
SMILESCNc1ncc(N2CCN(c3ccn4cc(-c5cc(Cl)c(OC)cc5OC)nc4c3)CC2)cn1
InChIInChI=1S/C24H26ClN7O2/c1-26-24-27-13-17(14-28-24)31-8-6-30(7-9-31)16-4-5-32-15-20(29-23(32)10-16)18-11-19(25)22(34-3)12-21(18)33-2/h4-5,10-15H,6-9H2,1-3H3,(H,26,27,28)
InChIKeyJSMSYQWMNWGLPG-UHFFFAOYSA-N
MW479.97 g/mol
LogP3.83
Rot. Bonds6

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

5-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N-methylpyrimidin-2-amine (PubChem CID 135335105) has the molecular formula C24H26ClN7O2 and a molecular weight of 479.97 g/mol. Its IUPAC name is 5-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N-methylpyrimidin-2-amine
PubChem CID135335105
Molecular FormulaC24H26ClN7O2
Molecular Weight479.97 g/mol
Exact Mass479.18
IUPAC Name5-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N-methylpyrimidin-2-amine
SMILESCNc1ncc(N2CCN(c3ccn4cc(-c5cc(Cl)c(OC)cc5OC)nc4c3)CC2)cn1
InChIInChI=1S/C24H26ClN7O2/c1-26-24-27-13-17(14-28-24)31-8-6-30(7-9-31)16-4-5-32-15-20(29-23(32)10-16)18-11-19(25)22(34-3)12-21(18)33-2/h4-5,10-15H,6-9H2,1-3H3,(H,26,27,28)
InChIKeyJSMSYQWMNWGLPG-UHFFFAOYSA-N
XLogP3.83
TPSA80.05 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.97
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N-methylpyrimidin-2-amine?
The IUPAC name of 5-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N-methylpyrimidin-2-amine (CID 135335105) is 5-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N-methylpyrimidin-2-amine is CNc1ncc(N2CCN(c3ccn4cc(-c5cc(Cl)c(OC)cc5OC)nc4c3)CC2)cn1.
What is the InChIKey of 5-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N-methylpyrimidin-2-amine?
The InChIKey is JSMSYQWMNWGLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN7O2/c1-26-24-27-13-17(14-28-24)31-8-6-30(7-9-31)16-4-5-32-15-20(29-23(32)10-16)18-11-19(25)22(34-3)12-21(18)33-2/h4-5,10-15H,6-9H2,1-3H3,(H,26,27,28).
What are the key properties of 5-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N-methylpyrimidin-2-amine?
5-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N-methylpyrimidin-2-amine has a molecular weight of 479.97 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N-methylpyrimidin-2-amine is sourced from PubChem (CID 135335105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).