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

C22H27ClN4O2 — CID 135281382

IUPAC2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridine
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCN(C(C)C)CC4)cc3n2)cc1Cl
InChIInChI=1S/C22H27ClN4O2/c1-15(2)25-7-9-26(10-8-25)16-5-6-27-14-19(24-22(27)11-16)17-12-18(23)21(29-4)13-20(17)28-3/h5-6,11-15H,7-10H2,1-4H3
InChIKeyWZGWHYYOHWACPP-UHFFFAOYSA-N
MW414.94 g/mol
LogP4.20
Rot. Bonds5

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

2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridine (PubChem CID 135281382) has the molecular formula C22H27ClN4O2 and a molecular weight of 414.94 g/mol. Its IUPAC name is 2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridine
PubChem CID135281382
Molecular FormulaC22H27ClN4O2
Molecular Weight414.94 g/mol
Exact Mass414.18
IUPAC Name2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridine
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCN(C(C)C)CC4)cc3n2)cc1Cl
InChIInChI=1S/C22H27ClN4O2/c1-15(2)25-7-9-26(10-8-25)16-5-6-27-14-19(24-22(27)11-16)17-12-18(23)21(29-4)13-20(17)28-3/h5-6,11-15H,7-10H2,1-4H3
InChIKeyWZGWHYYOHWACPP-UHFFFAOYSA-N
XLogP4.20
TPSA42.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.94
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridine?
The IUPAC name of 2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridine (CID 135281382) is 2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridine?
The canonical SMILES for 2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridine is COc1cc(OC)c(-c2cn3ccc(N4CCN(C(C)C)CC4)cc3n2)cc1Cl.
What is the InChIKey of 2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridine?
The InChIKey is WZGWHYYOHWACPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4O2/c1-15(2)25-7-9-26(10-8-25)16-5-6-27-14-19(24-22(27)11-16)17-12-18(23)21(29-4)13-20(17)28-3/h5-6,11-15H,7-10H2,1-4H3.
What are the key properties of 2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridine?
2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridine has a molecular weight of 414.94 g/mol, XLogP of 4.20, 5 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-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 135281382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).