4-[7-chloro-3-[[(2S)-4-(2-methoxyacetyl)morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-3-fluoro-N-methylbenzamide

C23H24ClFN4O4 — CID 156827612

IUPAC4-[7-chloro-3-[[(2S)-4-(2-methoxyacetyl)morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-3-fluoro-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2nc3cc(Cl)ccn3c2C[C@H]2CN(C(=O)COC)CCO2)c(F)c1
InChIInChI=1S/C23H24ClFN4O4/c1-26-23(31)14-3-4-17(18(25)9-14)22-19(29-6-5-15(24)10-20(29)27-22)11-16-12-28(7-8-33-16)21(30)13-32-2/h3-6,9-10,16H,7-8,11-13H2,1-2H3,(H,26,31)/t16-/m0/s1
InChIKeyVEYPHCQGKNHMBJ-INIZCTEOSA-N
MW474.92 g/mol
LogP2.57
Rot. Bonds6

About 4-[7-chloro-3-[[(2S)-4-(2-methoxyacetyl)morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-3-fluoro-N-methylbenzamide

4-[7-chloro-3-[[(2S)-4-(2-methoxyacetyl)morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-3-fluoro-N-methylbenzamide (PubChem CID 156827612) has the molecular formula C23H24ClFN4O4 and a molecular weight of 474.92 g/mol. Its IUPAC name is 4-[7-chloro-3-[[(2S)-4-(2-methoxyacetyl)morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-3-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name4-[7-chloro-3-[[(2S)-4-(2-methoxyacetyl)morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-3-fluoro-N-methylbenzamide
PubChem CID156827612
Molecular FormulaC23H24ClFN4O4
Molecular Weight474.92 g/mol
Exact Mass474.15
IUPAC Name4-[7-chloro-3-[[(2S)-4-(2-methoxyacetyl)morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-3-fluoro-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2nc3cc(Cl)ccn3c2C[C@H]2CN(C(=O)COC)CCO2)c(F)c1
InChIInChI=1S/C23H24ClFN4O4/c1-26-23(31)14-3-4-17(18(25)9-14)22-19(29-6-5-15(24)10-20(29)27-22)11-16-12-28(7-8-33-16)21(30)13-32-2/h3-6,9-10,16H,7-8,11-13H2,1-2H3,(H,26,31)/t16-/m0/s1
InChIKeyVEYPHCQGKNHMBJ-INIZCTEOSA-N
XLogP2.57
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.92
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[[7-(fluoromethyl)-2-[2-fluoro-4-(methylcarbamoyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 156827753
methyl (2S)-2-[[7-(difluoromethyl)-2-[2-fluoro-4-(methylcarbamoyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 156827690
methyl (2S)-2-[[7-chloro-2-[2-fluoro-4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 156827623
2-[[7-chloro-2-[2-fluoro-4-(pyrrolidine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid
CID 166709104
4-[3-[[(2S)-4-acetylmorpholin-2-yl]methyl]-7-chloroimidazo[1,2-a]pyridin-2-yl]-N,3-dimethylbenzamide;4-[3-[[(2R)-4-acetylmorpholin-2-yl]methyl]-7-chloroimidazo[1,2-a]pyridin-2-yl]-N,3-dimethylbenzamide;4-[3-[[(2S)-4-acetylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]-2,5-difluoro-N-methylbenzamide;4-[7-chloro-3-[[(2S)-4-propanoylmorpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-2-fluoro-N,5-dimethylbenzamide;methyl (2S)-2-[[2-[5-fluoro-2-methyl-4-(methylcarbamoyl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 160609533
(2S)-2-[[7-chloro-2-[5-fluoro-2-methyl-4-(methylcarbamoyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid
CID 166709169
methyl (2S)-2-[[7-chloro-2-[2,3,6-trifluoro-4-(methylcarbamoyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 162375002
(2S)-2-[[2-[2-chloro-4-(methylcarbamoyl)phenyl]-7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid
CID 166709177
4-[3-[[(2S)-4-acetylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]-N,3-dimethylbenzamide
CID 118581307
methyl (2S)-2-[[7-chloro-2-[2,6-difluoro-4-[(R)-hydroxy(methylamino)methyl]phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 134185052
methyl (2R)-2-[[2-[2,6-difluoro-4-(methylcarbamoyl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]-1,4-oxazepane-4-carboxylate
CID 156827721
2-methylbutan-2-yl 2-[[7-methyl-2-[2-methyl-4-(methylcarbamoyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 134387909

Frequently Asked Questions

What is the IUPAC name of 4-[7-chloro-3-[[(2S)-4-(2-methoxyacetyl)morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-3-fluoro-N-methylbenzamide?
The IUPAC name of 4-[7-chloro-3-[[(2S)-4-(2-methoxyacetyl)morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-3-fluoro-N-methylbenzamide (CID 156827612) is 4-[7-chloro-3-[[(2S)-4-(2-methoxyacetyl)morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-3-fluoro-N-methylbenzamide.
What is the SMILES notation for 4-[7-chloro-3-[[(2S)-4-(2-methoxyacetyl)morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-3-fluoro-N-methylbenzamide?
The canonical SMILES for 4-[7-chloro-3-[[(2S)-4-(2-methoxyacetyl)morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-3-fluoro-N-methylbenzamide is CNC(=O)c1ccc(-c2nc3cc(Cl)ccn3c2C[C@H]2CN(C(=O)COC)CCO2)c(F)c1.
What is the InChIKey of 4-[7-chloro-3-[[(2S)-4-(2-methoxyacetyl)morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-3-fluoro-N-methylbenzamide?
The InChIKey is VEYPHCQGKNHMBJ-INIZCTEOSA-N. The full InChI is InChI=1S/C23H24ClFN4O4/c1-26-23(31)14-3-4-17(18(25)9-14)22-19(29-6-5-15(24)10-20(29)27-22)11-16-12-28(7-8-33-16)21(30)13-32-2/h3-6,9-10,16H,7-8,11-13H2,1-2H3,(H,26,31)/t16-/m0/s1.
What are the key properties of 4-[7-chloro-3-[[(2S)-4-(2-methoxyacetyl)morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-3-fluoro-N-methylbenzamide?
4-[7-chloro-3-[[(2S)-4-(2-methoxyacetyl)morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-3-fluoro-N-methylbenzamide has a molecular weight of 474.92 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-chloro-3-[[(2S)-4-(2-methoxyacetyl)morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-3-fluoro-N-methylbenzamide is sourced from PubChem (CID 156827612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).