2-[5-[2-(dimethylamino)ethoxy]-2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]-3-methylphenoxy]acetamide

C28H33N5O3 — CID 67350304

IUPAC2-[5-[2-(dimethylamino)ethoxy]-2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]-3-methylphenoxy]acetamide
SMILESCc1cccc(C)c1Nc1c(-c2c(C)cc(OCCN(C)C)cc2OCC(N)=O)nc2ccccn12
InChIInChI=1S/C28H33N5O3/c1-18-9-8-10-19(2)26(18)31-28-27(30-24-11-6-7-12-33(24)28)25-20(3)15-21(35-14-13-32(4)5)16-22(25)36-17-23(29)34/h6-12,15-16,31H,13-14,17H2,1-5H3,(H2,29,34)
InChIKeyMCWMBKFAPTVYCC-UHFFFAOYSA-N
MW487.60 g/mol
LogP4.47
Rot. Bonds10

About 2-[5-[2-(dimethylamino)ethoxy]-2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]-3-methylphenoxy]acetamide

2-[5-[2-(dimethylamino)ethoxy]-2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]-3-methylphenoxy]acetamide (PubChem CID 67350304) has the molecular formula C28H33N5O3 and a molecular weight of 487.60 g/mol. Its IUPAC name is 2-[5-[2-(dimethylamino)ethoxy]-2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]-3-methylphenoxy]acetamide.

Molecular Properties

Compound Name2-[5-[2-(dimethylamino)ethoxy]-2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]-3-methylphenoxy]acetamide
PubChem CID67350304
Molecular FormulaC28H33N5O3
Molecular Weight487.60 g/mol
Exact Mass487.26
IUPAC Name2-[5-[2-(dimethylamino)ethoxy]-2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]-3-methylphenoxy]acetamide
SMILESCc1cccc(C)c1Nc1c(-c2c(C)cc(OCCN(C)C)cc2OCC(N)=O)nc2ccccn12
InChIInChI=1S/C28H33N5O3/c1-18-9-8-10-19(2)26(18)31-28-27(30-24-11-6-7-12-33(24)28)25-20(3)15-21(35-14-13-32(4)5)16-22(25)36-17-23(29)34/h6-12,15-16,31H,13-14,17H2,1-5H3,(H2,29,34)
InChIKeyMCWMBKFAPTVYCC-UHFFFAOYSA-N
XLogP4.47
TPSA94.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.60
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(dimethylamino)ethoxy]-2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]-3-methylphenoxy]acetamide?
The IUPAC name of 2-[5-[2-(dimethylamino)ethoxy]-2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]-3-methylphenoxy]acetamide (CID 67350304) is 2-[5-[2-(dimethylamino)ethoxy]-2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]-3-methylphenoxy]acetamide.
What is the SMILES notation for 2-[5-[2-(dimethylamino)ethoxy]-2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]-3-methylphenoxy]acetamide?
The canonical SMILES for 2-[5-[2-(dimethylamino)ethoxy]-2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]-3-methylphenoxy]acetamide is Cc1cccc(C)c1Nc1c(-c2c(C)cc(OCCN(C)C)cc2OCC(N)=O)nc2ccccn12.
What is the InChIKey of 2-[5-[2-(dimethylamino)ethoxy]-2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]-3-methylphenoxy]acetamide?
The InChIKey is MCWMBKFAPTVYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O3/c1-18-9-8-10-19(2)26(18)31-28-27(30-24-11-6-7-12-33(24)28)25-20(3)15-21(35-14-13-32(4)5)16-22(25)36-17-23(29)34/h6-12,15-16,31H,13-14,17H2,1-5H3,(H2,29,34).
What are the key properties of 2-[5-[2-(dimethylamino)ethoxy]-2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]-3-methylphenoxy]acetamide?
2-[5-[2-(dimethylamino)ethoxy]-2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]-3-methylphenoxy]acetamide has a molecular weight of 487.60 g/mol, XLogP of 4.47, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(dimethylamino)ethoxy]-2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]-3-methylphenoxy]acetamide is sourced from PubChem (CID 67350304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).