2-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-5-amine;hydrochloride

C23H25Cl2N7O2 — CID 135335289

IUPAC2-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-5-amine;hydrochloride
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCN(c5ncc(N)cn5)CC4)cc3n2)cc1Cl.Cl
InChIInChI=1S/C23H24ClN7O2.ClH/c1-32-20-11-21(33-2)18(24)10-17(20)19-14-31-4-3-16(9-22(31)28-19)29-5-7-30(8-6-29)23-26-12-15(25)13-27-23;/h3-4,9-14H,5-8,25H2,1-2H3;1H
InChIKeyPLFQLSZFRDPNCB-UHFFFAOYSA-N
MW502.41 g/mol
LogP3.79
Rot. Bonds5

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

2-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-5-amine;hydrochloride (PubChem CID 135335289) has the molecular formula C23H25Cl2N7O2 and a molecular weight of 502.41 g/mol. Its IUPAC name is 2-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-5-amine;hydrochloride.

Molecular Properties

Compound Name2-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-5-amine;hydrochloride
PubChem CID135335289
Molecular FormulaC23H25Cl2N7O2
Molecular Weight502.41 g/mol
Exact Mass501.14
IUPAC Name2-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-5-amine;hydrochloride
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCN(c5ncc(N)cn5)CC4)cc3n2)cc1Cl.Cl
InChIInChI=1S/C23H24ClN7O2.ClH/c1-32-20-11-21(33-2)18(24)10-17(20)19-14-31-4-3-16(9-22(31)28-19)29-5-7-30(8-6-29)23-26-12-15(25)13-27-23;/h3-4,9-14H,5-8,25H2,1-2H3;1H
InChIKeyPLFQLSZFRDPNCB-UHFFFAOYSA-N
XLogP3.79
TPSA94.04 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-5-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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]pyrimidin-5-amine;hydrochloride?
The IUPAC name of 2-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-5-amine;hydrochloride (CID 135335289) is 2-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-5-amine;hydrochloride.
What is the SMILES notation for 2-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-5-amine;hydrochloride?
The canonical SMILES for 2-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-5-amine;hydrochloride is COc1cc(OC)c(-c2cn3ccc(N4CCN(c5ncc(N)cn5)CC4)cc3n2)cc1Cl.Cl.
What is the InChIKey of 2-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-5-amine;hydrochloride?
The InChIKey is PLFQLSZFRDPNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN7O2.ClH/c1-32-20-11-21(33-2)18(24)10-17(20)19-14-31-4-3-16(9-22(31)28-19)29-5-7-30(8-6-29)23-26-12-15(25)13-27-23;/h3-4,9-14H,5-8,25H2,1-2H3;1H.
What are the key properties of 2-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-5-amine;hydrochloride?
2-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-5-amine;hydrochloride has a molecular weight of 502.41 g/mol, XLogP of 3.79, 5 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]pyrimidin-5-amine;hydrochloride is sourced from PubChem (CID 135335289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).