[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-(2-hydroxyphenyl)methanone

C26H25ClN4O4 — CID 135281787

IUPAC[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-(2-hydroxyphenyl)methanone
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCN(C(=O)c5ccccc5O)CC4)cc3n2)cc1Cl
InChIInChI=1S/C26H25ClN4O4/c1-34-23-15-24(35-2)20(27)14-19(23)21-16-31-8-7-17(13-25(31)28-21)29-9-11-30(12-10-29)26(33)18-5-3-4-6-22(18)32/h3-8,13-16,32H,9-12H2,1-2H3
InChIKeyRQCSRGLEFOAQPR-UHFFFAOYSA-N
MW492.96 g/mol
LogP4.34
Rot. Bonds5

About [4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-(2-hydroxyphenyl)methanone

[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-(2-hydroxyphenyl)methanone (PubChem CID 135281787) has the molecular formula C26H25ClN4O4 and a molecular weight of 492.96 g/mol. Its IUPAC name is [4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-(2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-(2-hydroxyphenyl)methanone
PubChem CID135281787
Molecular FormulaC26H25ClN4O4
Molecular Weight492.96 g/mol
Exact Mass492.16
IUPAC Name[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-(2-hydroxyphenyl)methanone
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCN(C(=O)c5ccccc5O)CC4)cc3n2)cc1Cl
InChIInChI=1S/C26H25ClN4O4/c1-34-23-15-24(35-2)20(27)14-19(23)21-16-31-8-7-17(13-25(31)28-21)29-9-11-30(12-10-29)26(33)18-5-3-4-6-22(18)32/h3-8,13-16,32H,9-12H2,1-2H3
InChIKeyRQCSRGLEFOAQPR-UHFFFAOYSA-N
XLogP4.34
TPSA79.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.96
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-(2-hydroxyphenyl)methanone?
The IUPAC name of [4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-(2-hydroxyphenyl)methanone (CID 135281787) is [4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-(2-hydroxyphenyl)methanone.
What is the SMILES notation for [4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-(2-hydroxyphenyl)methanone?
The canonical SMILES for [4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-(2-hydroxyphenyl)methanone is COc1cc(OC)c(-c2cn3ccc(N4CCN(C(=O)c5ccccc5O)CC4)cc3n2)cc1Cl.
What is the InChIKey of [4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-(2-hydroxyphenyl)methanone?
The InChIKey is RQCSRGLEFOAQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN4O4/c1-34-23-15-24(35-2)20(27)14-19(23)21-16-31-8-7-17(13-25(31)28-21)29-9-11-30(12-10-29)26(33)18-5-3-4-6-22(18)32/h3-8,13-16,32H,9-12H2,1-2H3.
What are the key properties of [4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-(2-hydroxyphenyl)methanone?
[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-(2-hydroxyphenyl)methanone has a molecular weight of 492.96 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-(2-hydroxyphenyl)methanone is sourced from PubChem (CID 135281787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).