2-[2-[3-(2-chloro-6-methylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-5-methoxy-3-methylphenoxy]acetamide

C24H22ClFN4O3 — CID 67352733

IUPAC2-[2-[3-(2-chloro-6-methylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-5-methoxy-3-methylphenoxy]acetamide
SMILESCOc1cc(C)c(-c2nc3ccc(F)cn3c2Nc2c(C)cccc2Cl)c(OCC(N)=O)c1
InChIInChI=1S/C24H22ClFN4O3/c1-13-5-4-6-17(25)22(13)29-24-23(28-20-8-7-15(26)11-30(20)24)21-14(2)9-16(32-3)10-18(21)33-12-19(27)31/h4-11,29H,12H2,1-3H3,(H2,27,31)
InChIKeyNHHPEKXNQYSHNY-UHFFFAOYSA-N
MW468.92 g/mol
LogP5.03
Rot. Bonds7

About 2-[2-[3-(2-chloro-6-methylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-5-methoxy-3-methylphenoxy]acetamide

2-[2-[3-(2-chloro-6-methylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-5-methoxy-3-methylphenoxy]acetamide (PubChem CID 67352733) has the molecular formula C24H22ClFN4O3 and a molecular weight of 468.92 g/mol. Its IUPAC name is 2-[2-[3-(2-chloro-6-methylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-5-methoxy-3-methylphenoxy]acetamide.

Molecular Properties

Compound Name2-[2-[3-(2-chloro-6-methylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-5-methoxy-3-methylphenoxy]acetamide
PubChem CID67352733
Molecular FormulaC24H22ClFN4O3
Molecular Weight468.92 g/mol
Exact Mass468.14
IUPAC Name2-[2-[3-(2-chloro-6-methylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-5-methoxy-3-methylphenoxy]acetamide
SMILESCOc1cc(C)c(-c2nc3ccc(F)cn3c2Nc2c(C)cccc2Cl)c(OCC(N)=O)c1
InChIInChI=1S/C24H22ClFN4O3/c1-13-5-4-6-17(25)22(13)29-24-23(28-20-8-7-15(26)11-30(20)24)21-14(2)9-16(32-3)10-18(21)33-12-19(27)31/h4-11,29H,12H2,1-3H3,(H2,27,31)
InChIKeyNHHPEKXNQYSHNY-UHFFFAOYSA-N
XLogP5.03
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.92
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[2-[3-(2-chloro-6-methylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-5-methoxy-3-methylphenoxy]acetamide 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-[2-[3-(2-chloro-6-methylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-5-methoxy-3-methylphenoxy]acetamide?
The IUPAC name of 2-[2-[3-(2-chloro-6-methylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-5-methoxy-3-methylphenoxy]acetamide (CID 67352733) is 2-[2-[3-(2-chloro-6-methylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-5-methoxy-3-methylphenoxy]acetamide.
What is the SMILES notation for 2-[2-[3-(2-chloro-6-methylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-5-methoxy-3-methylphenoxy]acetamide?
The canonical SMILES for 2-[2-[3-(2-chloro-6-methylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-5-methoxy-3-methylphenoxy]acetamide is COc1cc(C)c(-c2nc3ccc(F)cn3c2Nc2c(C)cccc2Cl)c(OCC(N)=O)c1.
What is the InChIKey of 2-[2-[3-(2-chloro-6-methylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-5-methoxy-3-methylphenoxy]acetamide?
The InChIKey is NHHPEKXNQYSHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClFN4O3/c1-13-5-4-6-17(25)22(13)29-24-23(28-20-8-7-15(26)11-30(20)24)21-14(2)9-16(32-3)10-18(21)33-12-19(27)31/h4-11,29H,12H2,1-3H3,(H2,27,31).
What are the key properties of 2-[2-[3-(2-chloro-6-methylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-5-methoxy-3-methylphenoxy]acetamide?
2-[2-[3-(2-chloro-6-methylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-5-methoxy-3-methylphenoxy]acetamide has a molecular weight of 468.92 g/mol, XLogP of 5.03, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(2-chloro-6-methylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-5-methoxy-3-methylphenoxy]acetamide is sourced from PubChem (CID 67352733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).