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

C24H25ClN6O2 — CID 135334921

IUPAC2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridine
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCN(Cc5ncccn5)CC4)cc3n2)cc1Cl
InChIInChI=1S/C24H25ClN6O2/c1-32-21-14-22(33-2)19(25)13-18(21)20-15-31-7-4-17(12-24(31)28-20)30-10-8-29(9-11-30)16-23-26-5-3-6-27-23/h3-7,12-15H,8-11,16H2,1-2H3
InChIKeyKYYICCVPTRJVBV-UHFFFAOYSA-N
MW464.96 g/mol
LogP3.78
Rot. Bonds6

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

2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridine (PubChem CID 135334921) has the molecular formula C24H25ClN6O2 and a molecular weight of 464.96 g/mol. Its IUPAC name is 2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridine
PubChem CID135334921
Molecular FormulaC24H25ClN6O2
Molecular Weight464.96 g/mol
Exact Mass464.17
IUPAC Name2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridine
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCN(Cc5ncccn5)CC4)cc3n2)cc1Cl
InChIInChI=1S/C24H25ClN6O2/c1-32-21-14-22(33-2)19(25)13-18(21)20-15-31-7-4-17(12-24(31)28-20)30-10-8-29(9-11-30)16-23-26-5-3-6-27-23/h3-7,12-15H,8-11,16H2,1-2H3
InChIKeyKYYICCVPTRJVBV-UHFFFAOYSA-N
XLogP3.78
TPSA68.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.96
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridine (CID 135334921) is 2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridine is COc1cc(OC)c(-c2cn3ccc(N4CCN(Cc5ncccn5)CC4)cc3n2)cc1Cl.
What is the InChIKey of 2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridine?
The InChIKey is KYYICCVPTRJVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN6O2/c1-32-21-14-22(33-2)19(25)13-18(21)20-15-31-7-4-17(12-24(31)28-20)30-10-8-29(9-11-30)16-23-26-5-3-6-27-23/h3-7,12-15H,8-11,16H2,1-2H3.
What are the key properties of 2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridine?
2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridine has a molecular weight of 464.96 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 135334921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).