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

C24H26ClN7O2 — CID 135335200

IUPAC2-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N-methylpyrimidin-4-amine
SMILESCNc1ccnc(N2CCN(c3ccn4cc(-c5cc(Cl)c(OC)cc5OC)nc4c3)CC2)n1
InChIInChI=1S/C24H26ClN7O2/c1-26-22-4-6-27-24(29-22)31-10-8-30(9-11-31)16-5-7-32-15-19(28-23(32)12-16)17-13-18(25)21(34-3)14-20(17)33-2/h4-7,12-15H,8-11H2,1-3H3,(H,26,27,29)
InChIKeyIKDCSRFUTSGFBU-UHFFFAOYSA-N
MW479.97 g/mol
LogP3.83
Rot. Bonds6

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

2-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N-methylpyrimidin-4-amine (PubChem CID 135335200) has the molecular formula C24H26ClN7O2 and a molecular weight of 479.97 g/mol. Its IUPAC name is 2-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N-methylpyrimidin-4-amine
PubChem CID135335200
Molecular FormulaC24H26ClN7O2
Molecular Weight479.97 g/mol
Exact Mass479.18
IUPAC Name2-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N-methylpyrimidin-4-amine
SMILESCNc1ccnc(N2CCN(c3ccn4cc(-c5cc(Cl)c(OC)cc5OC)nc4c3)CC2)n1
InChIInChI=1S/C24H26ClN7O2/c1-26-22-4-6-27-24(29-22)31-10-8-30(9-11-31)16-5-7-32-15-19(28-23(32)12-16)17-13-18(25)21(34-3)14-20(17)33-2/h4-7,12-15H,8-11H2,1-3H3,(H,26,27,29)
InChIKeyIKDCSRFUTSGFBU-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 2-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N-methylpyrimidin-4-amine?
The IUPAC name of 2-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N-methylpyrimidin-4-amine (CID 135335200) is 2-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N-methylpyrimidin-4-amine is CNc1ccnc(N2CCN(c3ccn4cc(-c5cc(Cl)c(OC)cc5OC)nc4c3)CC2)n1.
What is the InChIKey of 2-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N-methylpyrimidin-4-amine?
The InChIKey is IKDCSRFUTSGFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN7O2/c1-26-22-4-6-27-24(29-22)31-10-8-30(9-11-31)16-5-7-32-15-19(28-23(32)12-16)17-13-18(25)21(34-3)14-20(17)33-2/h4-7,12-15H,8-11H2,1-3H3,(H,26,27,29).
What are the key properties of 2-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N-methylpyrimidin-4-amine?
2-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N-methylpyrimidin-4-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 2-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N-methylpyrimidin-4-amine is sourced from PubChem (CID 135335200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).