2-[3-chloro-2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-5-hydroxyphenoxy]acetamide

C23H20ClFN4O3 — CID 24854938

IUPAC2-[3-chloro-2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-5-hydroxyphenoxy]acetamide
SMILESCc1cccc(C)c1Nc1c(-c2c(Cl)cc(O)cc2OCC(N)=O)nc2ccc(F)cn12
InChIInChI=1S/C23H20ClFN4O3/c1-12-4-3-5-13(2)21(12)28-23-22(27-19-7-6-14(25)10-29(19)23)20-16(24)8-15(30)9-17(20)32-11-18(26)31/h3-10,28,30H,11H2,1-2H3,(H2,26,31)
InChIKeyDQXSGFBGVZOWPB-UHFFFAOYSA-N
MW454.89 g/mol
LogP4.72
Rot. Bonds6

About 2-[3-chloro-2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-5-hydroxyphenoxy]acetamide

2-[3-chloro-2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-5-hydroxyphenoxy]acetamide (PubChem CID 24854938) has the molecular formula C23H20ClFN4O3 and a molecular weight of 454.89 g/mol. Its IUPAC name is 2-[3-chloro-2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-5-hydroxyphenoxy]acetamide.

Molecular Properties

Compound Name2-[3-chloro-2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-5-hydroxyphenoxy]acetamide
PubChem CID24854938
Molecular FormulaC23H20ClFN4O3
Molecular Weight454.89 g/mol
Exact Mass454.12
IUPAC Name2-[3-chloro-2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-5-hydroxyphenoxy]acetamide
SMILESCc1cccc(C)c1Nc1c(-c2c(Cl)cc(O)cc2OCC(N)=O)nc2ccc(F)cn12
InChIInChI=1S/C23H20ClFN4O3/c1-12-4-3-5-13(2)21(12)28-23-22(27-19-7-6-14(25)10-29(19)23)20-16(24)8-15(30)9-17(20)32-11-18(26)31/h3-10,28,30H,11H2,1-2H3,(H2,26,31)
InChIKeyDQXSGFBGVZOWPB-UHFFFAOYSA-N
XLogP4.72
TPSA101.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.89
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-5-hydroxyphenoxy]acetamide?
The IUPAC name of 2-[3-chloro-2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-5-hydroxyphenoxy]acetamide (CID 24854938) is 2-[3-chloro-2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-5-hydroxyphenoxy]acetamide.
What is the SMILES notation for 2-[3-chloro-2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-5-hydroxyphenoxy]acetamide?
The canonical SMILES for 2-[3-chloro-2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-5-hydroxyphenoxy]acetamide is Cc1cccc(C)c1Nc1c(-c2c(Cl)cc(O)cc2OCC(N)=O)nc2ccc(F)cn12.
What is the InChIKey of 2-[3-chloro-2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-5-hydroxyphenoxy]acetamide?
The InChIKey is DQXSGFBGVZOWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN4O3/c1-12-4-3-5-13(2)21(12)28-23-22(27-19-7-6-14(25)10-29(19)23)20-16(24)8-15(30)9-17(20)32-11-18(26)31/h3-10,28,30H,11H2,1-2H3,(H2,26,31).
What are the key properties of 2-[3-chloro-2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-5-hydroxyphenoxy]acetamide?
2-[3-chloro-2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-5-hydroxyphenoxy]acetamide has a molecular weight of 454.89 g/mol, XLogP of 4.72, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-5-hydroxyphenoxy]acetamide is sourced from PubChem (CID 24854938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).