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

C23H24ClN7O2 — CID 135281212

IUPAC4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-amine
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCN(c5ccnc(N)n5)CC4)cc3n2)cc1Cl
InChIInChI=1S/C23H24ClN7O2/c1-32-19-13-20(33-2)17(24)12-16(19)18-14-31-6-4-15(11-22(31)27-18)29-7-9-30(10-8-29)21-3-5-26-23(25)28-21/h3-6,11-14H,7-10H2,1-2H3,(H2,25,26,28)
InChIKeyIHBZZNYUELYLLL-UHFFFAOYSA-N
MW465.95 g/mol
LogP3.37
Rot. Bonds5

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

4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-amine (PubChem CID 135281212) has the molecular formula C23H24ClN7O2 and a molecular weight of 465.95 g/mol. Its IUPAC name is 4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-amine
PubChem CID135281212
Molecular FormulaC23H24ClN7O2
Molecular Weight465.95 g/mol
Exact Mass465.17
IUPAC Name4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-amine
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCN(c5ccnc(N)n5)CC4)cc3n2)cc1Cl
InChIInChI=1S/C23H24ClN7O2/c1-32-19-13-20(33-2)17(24)12-16(19)18-14-31-6-4-15(11-22(31)27-18)29-7-9-30(10-8-29)21-3-5-26-23(25)28-21/h3-6,11-14H,7-10H2,1-2H3,(H2,25,26,28)
InChIKeyIHBZZNYUELYLLL-UHFFFAOYSA-N
XLogP3.37
TPSA94.04 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.95
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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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]pyrimidin-2-amine?
The IUPAC name of 4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-amine (CID 135281212) is 4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-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]pyrimidin-2-amine?
The canonical SMILES for 4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-amine is COc1cc(OC)c(-c2cn3ccc(N4CCN(c5ccnc(N)n5)CC4)cc3n2)cc1Cl.
What is the InChIKey of 4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-amine?
The InChIKey is IHBZZNYUELYLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN7O2/c1-32-19-13-20(33-2)17(24)12-16(19)18-14-31-6-4-15(11-22(31)27-18)29-7-9-30(10-8-29)21-3-5-26-23(25)28-21/h3-6,11-14H,7-10H2,1-2H3,(H2,25,26,28).
What are the key properties of 4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-amine?
4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-amine has a molecular weight of 465.95 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 9 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]pyrimidin-2-amine is sourced from PubChem (CID 135281212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).