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

C23H23ClN6O2 — CID 135335075

IUPAC2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-pyrimidin-5-ylpiperazin-1-yl)imidazo[1,2-a]pyridine
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCN(c5cncnc5)CC4)cc3n2)cc1Cl
InChIInChI=1S/C23H23ClN6O2/c1-31-21-11-22(32-2)19(24)10-18(21)20-14-30-4-3-16(9-23(30)27-20)28-5-7-29(8-6-28)17-12-25-15-26-13-17/h3-4,9-15H,5-8H2,1-2H3
InChIKeyZWRXJJSKYOWYCQ-UHFFFAOYSA-N
MW450.93 g/mol
LogP3.79
Rot. Bonds5

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

2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-pyrimidin-5-ylpiperazin-1-yl)imidazo[1,2-a]pyridine (PubChem CID 135335075) has the molecular formula C23H23ClN6O2 and a molecular weight of 450.93 g/mol. Its IUPAC name is 2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-pyrimidin-5-ylpiperazin-1-yl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-pyrimidin-5-ylpiperazin-1-yl)imidazo[1,2-a]pyridine
PubChem CID135335075
Molecular FormulaC23H23ClN6O2
Molecular Weight450.93 g/mol
Exact Mass450.16
IUPAC Name2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-pyrimidin-5-ylpiperazin-1-yl)imidazo[1,2-a]pyridine
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCN(c5cncnc5)CC4)cc3n2)cc1Cl
InChIInChI=1S/C23H23ClN6O2/c1-31-21-11-22(32-2)19(24)10-18(21)20-14-30-4-3-16(9-23(30)27-20)28-5-7-29(8-6-28)17-12-25-15-26-13-17/h3-4,9-15H,5-8H2,1-2H3
InChIKeyZWRXJJSKYOWYCQ-UHFFFAOYSA-N
XLogP3.79
TPSA68.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.93
LogP ≤ 53.79
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-5-ylpiperazin-1-yl)imidazo[1,2-a]pyridine?
The IUPAC name of 2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-pyrimidin-5-ylpiperazin-1-yl)imidazo[1,2-a]pyridine (CID 135335075) is 2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-pyrimidin-5-ylpiperazin-1-yl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-pyrimidin-5-ylpiperazin-1-yl)imidazo[1,2-a]pyridine?
The canonical SMILES for 2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-pyrimidin-5-ylpiperazin-1-yl)imidazo[1,2-a]pyridine is COc1cc(OC)c(-c2cn3ccc(N4CCN(c5cncnc5)CC4)cc3n2)cc1Cl.
What is the InChIKey of 2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-pyrimidin-5-ylpiperazin-1-yl)imidazo[1,2-a]pyridine?
The InChIKey is ZWRXJJSKYOWYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN6O2/c1-31-21-11-22(32-2)19(24)10-18(21)20-14-30-4-3-16(9-23(30)27-20)28-5-7-29(8-6-28)17-12-25-15-26-13-17/h3-4,9-15H,5-8H2,1-2H3.
What are the key properties of 2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-pyrimidin-5-ylpiperazin-1-yl)imidazo[1,2-a]pyridine?
2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-pyrimidin-5-ylpiperazin-1-yl)imidazo[1,2-a]pyridine has a molecular weight of 450.93 g/mol, XLogP of 3.79, 5 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-5-ylpiperazin-1-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 135335075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).