4-chloro-6-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-1,3,5-triazin-2-amine

C22H22Cl2N8O2 — CID 135281445

IUPAC4-chloro-6-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-1,3,5-triazin-2-amine
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCN(c5nc(N)nc(Cl)n5)CC4)cc3n2)cc1Cl
InChIInChI=1S/C22H22Cl2N8O2/c1-33-17-11-18(34-2)15(23)10-14(17)16-12-32-4-3-13(9-19(32)26-16)30-5-7-31(8-6-30)22-28-20(24)27-21(25)29-22/h3-4,9-12H,5-8H2,1-2H3,(H2,25,27,28,29)
InChIKeyVFEWFVAHYXPUOM-UHFFFAOYSA-N
MW501.38 g/mol
LogP3.42
Rot. Bonds5

About 4-chloro-6-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-1,3,5-triazin-2-amine

4-chloro-6-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-1,3,5-triazin-2-amine (PubChem CID 135281445) has the molecular formula C22H22Cl2N8O2 and a molecular weight of 501.38 g/mol. Its IUPAC name is 4-chloro-6-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-1,3,5-triazin-2-amine
PubChem CID135281445
Molecular FormulaC22H22Cl2N8O2
Molecular Weight501.38 g/mol
Exact Mass500.12
IUPAC Name4-chloro-6-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-1,3,5-triazin-2-amine
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCN(c5nc(N)nc(Cl)n5)CC4)cc3n2)cc1Cl
InChIInChI=1S/C22H22Cl2N8O2/c1-33-17-11-18(34-2)15(23)10-14(17)16-12-32-4-3-13(9-19(32)26-16)30-5-7-31(8-6-30)22-28-20(24)27-21(25)29-22/h3-4,9-12H,5-8H2,1-2H3,(H2,25,27,28,29)
InChIKeyVFEWFVAHYXPUOM-UHFFFAOYSA-N
XLogP3.42
TPSA106.93 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.38
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 4-chloro-6-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-1,3,5-triazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-1,3,5-triazin-2-amine (CID 135281445) is 4-chloro-6-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-1,3,5-triazin-2-amine is COc1cc(OC)c(-c2cn3ccc(N4CCN(c5nc(N)nc(Cl)n5)CC4)cc3n2)cc1Cl.
What is the InChIKey of 4-chloro-6-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-1,3,5-triazin-2-amine?
The InChIKey is VFEWFVAHYXPUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2N8O2/c1-33-17-11-18(34-2)15(23)10-14(17)16-12-32-4-3-13(9-19(32)26-16)30-5-7-31(8-6-30)22-28-20(24)27-21(25)29-22/h3-4,9-12H,5-8H2,1-2H3,(H2,25,27,28,29).
What are the key properties of 4-chloro-6-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-1,3,5-triazin-2-amine?
4-chloro-6-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-1,3,5-triazin-2-amine has a molecular weight of 501.38 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 135281445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).