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

C23H25ClN8O2 — CID 135335404

IUPAC4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N-methyl-1,3,5-triazin-2-amine
SMILESCNc1ncnc(N2CCN(c3ccn4cc(-c5cc(Cl)c(OC)cc5OC)nc4c3)CC2)n1
InChIInChI=1S/C23H25ClN8O2/c1-25-22-26-14-27-23(29-22)31-8-6-30(7-9-31)15-4-5-32-13-18(28-21(32)10-15)16-11-17(24)20(34-3)12-19(16)33-2/h4-5,10-14H,6-9H2,1-3H3,(H,25,26,27,29)
InChIKeyHAXWECKMZWOIGB-UHFFFAOYSA-N
MW480.96 g/mol
LogP3.23
Rot. Bonds6

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

4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N-methyl-1,3,5-triazin-2-amine (PubChem CID 135335404) has the molecular formula C23H25ClN8O2 and a molecular weight of 480.96 g/mol. Its IUPAC name is 4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N-methyl-1,3,5-triazin-2-amine
PubChem CID135335404
Molecular FormulaC23H25ClN8O2
Molecular Weight480.96 g/mol
Exact Mass480.18
IUPAC Name4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N-methyl-1,3,5-triazin-2-amine
SMILESCNc1ncnc(N2CCN(c3ccn4cc(-c5cc(Cl)c(OC)cc5OC)nc4c3)CC2)n1
InChIInChI=1S/C23H25ClN8O2/c1-25-22-26-14-27-23(29-22)31-8-6-30(7-9-31)15-4-5-32-13-18(28-21(32)10-15)16-11-17(24)20(34-3)12-19(16)33-2/h4-5,10-14H,6-9H2,1-3H3,(H,25,26,27,29)
InChIKeyHAXWECKMZWOIGB-UHFFFAOYSA-N
XLogP3.23
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.96
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N-methyl-1,3,5-triazin-2-amine (CID 135335404) is 4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N-methyl-1,3,5-triazin-2-amine is CNc1ncnc(N2CCN(c3ccn4cc(-c5cc(Cl)c(OC)cc5OC)nc4c3)CC2)n1.
What is the InChIKey of 4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N-methyl-1,3,5-triazin-2-amine?
The InChIKey is HAXWECKMZWOIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN8O2/c1-25-22-26-14-27-23(29-22)31-8-6-30(7-9-31)15-4-5-32-13-18(28-21(32)10-15)16-11-17(24)20(34-3)12-19(16)33-2/h4-5,10-14H,6-9H2,1-3H3,(H,25,26,27,29).
What are the key properties of 4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N-methyl-1,3,5-triazin-2-amine?
4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N-methyl-1,3,5-triazin-2-amine has a molecular weight of 480.96 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 135335404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).