2-(5-chloro-2,4-dimethoxyphenyl)-7-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)imidazo[1,2-a]pyridine

C23H23ClN2O4 — CID 135281233

IUPAC2-(5-chloro-2,4-dimethoxyphenyl)-7-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)imidazo[1,2-a]pyridine
SMILESCOc1cc(OC)c(-c2cn3ccc(C4=CCC5(CC4)OCCO5)cc3n2)cc1Cl
InChIInChI=1S/C23H23ClN2O4/c1-27-20-13-21(28-2)18(24)12-17(20)19-14-26-8-5-16(11-22(26)25-19)15-3-6-23(7-4-15)29-9-10-30-23/h3,5,8,11-14H,4,6-7,9-10H2,1-2H3
InChIKeyBYNCYJSUGQWSCS-UHFFFAOYSA-N
MW426.90 g/mol
LogP4.98
Rot. Bonds4

About 2-(5-chloro-2,4-dimethoxyphenyl)-7-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)imidazo[1,2-a]pyridine

2-(5-chloro-2,4-dimethoxyphenyl)-7-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)imidazo[1,2-a]pyridine (PubChem CID 135281233) has the molecular formula C23H23ClN2O4 and a molecular weight of 426.90 g/mol. Its IUPAC name is 2-(5-chloro-2,4-dimethoxyphenyl)-7-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(5-chloro-2,4-dimethoxyphenyl)-7-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)imidazo[1,2-a]pyridine
PubChem CID135281233
Molecular FormulaC23H23ClN2O4
Molecular Weight426.90 g/mol
Exact Mass426.13
IUPAC Name2-(5-chloro-2,4-dimethoxyphenyl)-7-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)imidazo[1,2-a]pyridine
SMILESCOc1cc(OC)c(-c2cn3ccc(C4=CCC5(CC4)OCCO5)cc3n2)cc1Cl
InChIInChI=1S/C23H23ClN2O4/c1-27-20-13-21(28-2)18(24)12-17(20)19-14-26-8-5-16(11-22(26)25-19)15-3-6-23(7-4-15)29-9-10-30-23/h3,5,8,11-14H,4,6-7,9-10H2,1-2H3
InChIKeyBYNCYJSUGQWSCS-UHFFFAOYSA-N
XLogP4.98
TPSA54.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.90
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(5-chloro-2,4-dimethoxyphenyl)-7-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)imidazo[1,2-a]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,4-dimethoxyphenyl)-7-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)imidazo[1,2-a]pyridine?
The IUPAC name of 2-(5-chloro-2,4-dimethoxyphenyl)-7-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)imidazo[1,2-a]pyridine (CID 135281233) is 2-(5-chloro-2,4-dimethoxyphenyl)-7-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(5-chloro-2,4-dimethoxyphenyl)-7-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)imidazo[1,2-a]pyridine?
The canonical SMILES for 2-(5-chloro-2,4-dimethoxyphenyl)-7-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)imidazo[1,2-a]pyridine is COc1cc(OC)c(-c2cn3ccc(C4=CCC5(CC4)OCCO5)cc3n2)cc1Cl.
What is the InChIKey of 2-(5-chloro-2,4-dimethoxyphenyl)-7-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)imidazo[1,2-a]pyridine?
The InChIKey is BYNCYJSUGQWSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O4/c1-27-20-13-21(28-2)18(24)12-17(20)19-14-26-8-5-16(11-22(26)25-19)15-3-6-23(7-4-15)29-9-10-30-23/h3,5,8,11-14H,4,6-7,9-10H2,1-2H3.
What are the key properties of 2-(5-chloro-2,4-dimethoxyphenyl)-7-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)imidazo[1,2-a]pyridine?
2-(5-chloro-2,4-dimethoxyphenyl)-7-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)imidazo[1,2-a]pyridine has a molecular weight of 426.90 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2,4-dimethoxyphenyl)-7-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 135281233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).