4-[7-cyano-3-[[(2S)-4-methylmorpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-3-ethyl-N-methylbenzamide

C24H27N5O2 — CID 144675161

IUPAC4-[7-cyano-3-[[(2S)-4-methylmorpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-3-ethyl-N-methylbenzamide
SMILESCCc1cc(C(=O)NC)ccc1-c1nc2cc(C#N)ccn2c1C[C@H]1CN(C)CCO1
InChIInChI=1S/C24H27N5O2/c1-4-17-12-18(24(30)26-2)5-6-20(17)23-21(13-19-15-28(3)9-10-31-19)29-8-7-16(14-25)11-22(29)27-23/h5-8,11-12,19H,4,9-10,13,15H2,1-3H3,(H,26,30)/t19-/m0/s1
InChIKeyAJYLJAPNTMVYLY-IBGZPJMESA-N
MW417.51 g/mol
LogP2.67
Rot. Bonds5

About 4-[7-cyano-3-[[(2S)-4-methylmorpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-3-ethyl-N-methylbenzamide

4-[7-cyano-3-[[(2S)-4-methylmorpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-3-ethyl-N-methylbenzamide (PubChem CID 144675161) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 4-[7-cyano-3-[[(2S)-4-methylmorpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-3-ethyl-N-methylbenzamide.

Molecular Properties

Compound Name4-[7-cyano-3-[[(2S)-4-methylmorpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-3-ethyl-N-methylbenzamide
PubChem CID144675161
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name4-[7-cyano-3-[[(2S)-4-methylmorpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-3-ethyl-N-methylbenzamide
SMILESCCc1cc(C(=O)NC)ccc1-c1nc2cc(C#N)ccn2c1C[C@H]1CN(C)CCO1
InChIInChI=1S/C24H27N5O2/c1-4-17-12-18(24(30)26-2)5-6-20(17)23-21(13-19-15-28(3)9-10-31-19)29-8-7-16(14-25)11-22(29)27-23/h5-8,11-12,19H,4,9-10,13,15H2,1-3H3,(H,26,30)/t19-/m0/s1
InChIKeyAJYLJAPNTMVYLY-IBGZPJMESA-N
XLogP2.67
TPSA82.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-difluoro-N-methyl-4-[7-methyl-3-[(4-methylmorpholin-2-yl)methyl]imidazo[1,2-a]pyridin-2-yl]benzamide
CID 166714396
4-[3-[[(2S)-4-acetylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]-N,3-dimethylbenzamide
CID 118581307
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
methyl 2-[[7-(fluoromethyl)-2-[2-fluoro-4-(methylcarbamoyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 156827753
(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-[7-chloro-3-[[(2S)-4-(2-methoxyacetyl)morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-3-fluoro-N-methylbenzamide
CID 156827612
methyl (2S)-2-[[7-(difluoromethyl)-2-[2-fluoro-4-(methylcarbamoyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 156827690
4-[3-[[(2S,5S)-4-acetyl-5-methylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]-N,3-dimethylbenzamide
CID 118581314
(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-[[2-(4-cyano-2-fluoro-6-methylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 154965162
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
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

Frequently Asked Questions

What is the IUPAC name of 4-[7-cyano-3-[[(2S)-4-methylmorpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-3-ethyl-N-methylbenzamide?
The IUPAC name of 4-[7-cyano-3-[[(2S)-4-methylmorpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-3-ethyl-N-methylbenzamide (CID 144675161) is 4-[7-cyano-3-[[(2S)-4-methylmorpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-3-ethyl-N-methylbenzamide.
What is the SMILES notation for 4-[7-cyano-3-[[(2S)-4-methylmorpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-3-ethyl-N-methylbenzamide?
The canonical SMILES for 4-[7-cyano-3-[[(2S)-4-methylmorpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-3-ethyl-N-methylbenzamide is CCc1cc(C(=O)NC)ccc1-c1nc2cc(C#N)ccn2c1C[C@H]1CN(C)CCO1.
What is the InChIKey of 4-[7-cyano-3-[[(2S)-4-methylmorpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-3-ethyl-N-methylbenzamide?
The InChIKey is AJYLJAPNTMVYLY-IBGZPJMESA-N. The full InChI is InChI=1S/C24H27N5O2/c1-4-17-12-18(24(30)26-2)5-6-20(17)23-21(13-19-15-28(3)9-10-31-19)29-8-7-16(14-25)11-22(29)27-23/h5-8,11-12,19H,4,9-10,13,15H2,1-3H3,(H,26,30)/t19-/m0/s1.
What are the key properties of 4-[7-cyano-3-[[(2S)-4-methylmorpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-3-ethyl-N-methylbenzamide?
4-[7-cyano-3-[[(2S)-4-methylmorpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-3-ethyl-N-methylbenzamide has a molecular weight of 417.51 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-cyano-3-[[(2S)-4-methylmorpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-3-ethyl-N-methylbenzamide is sourced from PubChem (CID 144675161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).