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

C21H26ClN4O5P — CID 140914460

IUPAC2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-dimethoxyphosphorylpiperazin-1-yl)imidazo[1,2-a]pyridine
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCN(P(=O)(OC)OC)CC4)cc3n2)cc1Cl
InChIInChI=1S/C21H26ClN4O5P/c1-28-19-13-20(29-2)17(22)12-16(19)18-14-25-6-5-15(11-21(25)23-18)24-7-9-26(10-8-24)32(27,30-3)31-4/h5-6,11-14H,7-10H2,1-4H3
InChIKeyMSTKHNHJVJYJPY-UHFFFAOYSA-N
MW480.89 g/mol
LogP4.19
Rot. Bonds7

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

2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-dimethoxyphosphorylpiperazin-1-yl)imidazo[1,2-a]pyridine (PubChem CID 140914460) has the molecular formula C21H26ClN4O5P and a molecular weight of 480.89 g/mol. Its IUPAC name is 2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-dimethoxyphosphorylpiperazin-1-yl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-dimethoxyphosphorylpiperazin-1-yl)imidazo[1,2-a]pyridine
PubChem CID140914460
Molecular FormulaC21H26ClN4O5P
Molecular Weight480.89 g/mol
Exact Mass480.13
IUPAC Name2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-dimethoxyphosphorylpiperazin-1-yl)imidazo[1,2-a]pyridine
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCN(P(=O)(OC)OC)CC4)cc3n2)cc1Cl
InChIInChI=1S/C21H26ClN4O5P/c1-28-19-13-20(29-2)17(22)12-16(19)18-14-25-6-5-15(11-21(25)23-18)24-7-9-26(10-8-24)32(27,30-3)31-4/h5-6,11-14H,7-10H2,1-4H3
InChIKeyMSTKHNHJVJYJPY-UHFFFAOYSA-N
XLogP4.19
TPSA77.77 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.89
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-dimethoxyphosphorylpiperazin-1-yl)imidazo[1,2-a]pyridine?
The IUPAC name of 2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-dimethoxyphosphorylpiperazin-1-yl)imidazo[1,2-a]pyridine (CID 140914460) is 2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-dimethoxyphosphorylpiperazin-1-yl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-dimethoxyphosphorylpiperazin-1-yl)imidazo[1,2-a]pyridine?
The canonical SMILES for 2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-dimethoxyphosphorylpiperazin-1-yl)imidazo[1,2-a]pyridine is COc1cc(OC)c(-c2cn3ccc(N4CCN(P(=O)(OC)OC)CC4)cc3n2)cc1Cl.
What is the InChIKey of 2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-dimethoxyphosphorylpiperazin-1-yl)imidazo[1,2-a]pyridine?
The InChIKey is MSTKHNHJVJYJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN4O5P/c1-28-19-13-20(29-2)17(22)12-16(19)18-14-25-6-5-15(11-21(25)23-18)24-7-9-26(10-8-24)32(27,30-3)31-4/h5-6,11-14H,7-10H2,1-4H3.
What are the key properties of 2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-dimethoxyphosphorylpiperazin-1-yl)imidazo[1,2-a]pyridine?
2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-dimethoxyphosphorylpiperazin-1-yl)imidazo[1,2-a]pyridine has a molecular weight of 480.89 g/mol, XLogP of 4.19, 7 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-dimethoxyphosphorylpiperazin-1-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 140914460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).