2-(2-methyl-4-pyridinyl)-N-[2-(methylsulfonimidoyl)-7-phenylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide

C24H20N6O3S — CID 170361614

IUPAC2-(2-methyl-4-pyridinyl)-N-[2-(methylsulfonimidoyl)-7-phenylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide
SMILES[H]N=S(C)(=O)c1cn2cc(NC(=O)c3coc(-c4ccnc(C)c4)n3)c(-c3ccccc3)cc2n1
InChIInChI=1S/C24H20N6O3S/c1-15-10-17(8-9-26-15)24-28-20(14-33-24)23(31)27-19-12-30-13-22(34(2,25)32)29-21(30)11-18(19)16-6-4-3-5-7-16/h3-14,25H,1-2H3,(H,27,31)
InChIKeyDBKJRNKSKJGNKV-UHFFFAOYSA-N
MW472.53 g/mol
LogP4.65
Rot. Bonds5

About 2-(2-methyl-4-pyridinyl)-N-[2-(methylsulfonimidoyl)-7-phenylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide

2-(2-methyl-4-pyridinyl)-N-[2-(methylsulfonimidoyl)-7-phenylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide (PubChem CID 170361614) has the molecular formula C24H20N6O3S and a molecular weight of 472.53 g/mol. Its IUPAC name is 2-(2-methyl-4-pyridinyl)-N-[2-(methylsulfonimidoyl)-7-phenylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-methyl-4-pyridinyl)-N-[2-(methylsulfonimidoyl)-7-phenylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide
PubChem CID170361614
Molecular FormulaC24H20N6O3S
Molecular Weight472.53 g/mol
Exact Mass472.13
IUPAC Name2-(2-methyl-4-pyridinyl)-N-[2-(methylsulfonimidoyl)-7-phenylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide
SMILES[H]N=S(C)(=O)c1cn2cc(NC(=O)c3coc(-c4ccnc(C)c4)n3)c(-c3ccccc3)cc2n1
InChIInChI=1S/C24H20N6O3S/c1-15-10-17(8-9-26-15)24-28-20(14-33-24)23(31)27-19-12-30-13-22(34(2,25)32)29-21(30)11-18(19)16-6-4-3-5-7-16/h3-14,25H,1-2H3,(H,27,31)
InChIKeyDBKJRNKSKJGNKV-UHFFFAOYSA-N
XLogP4.65
TPSA126.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.53
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyrimidin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 170361566
ethyl 3-[7-(4,4-dimethylpiperidin-1-yl)-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate
CID 155484023
N-[7-(4,4-dimethylpiperidin-1-yl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 155483924
2-(2-methyl-4-pyridinyl)-N-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 154998218
N-[4-amino-5-(methyliminomethyl)-2-pyrrolidin-1-ylphenyl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 138457202
N-[1-cyclohexyl-3-(methylcarbamoyl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;ethane
CID 158415687
N-[6-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 118226651
N-[3-carbamoyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;ethane
CID 161237860
N-[3-(difluoromethyl)-1-(4-formylcyclohexyl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 146599170
N-(6-methoxy-2-propan-2-ylindazol-5-yl)-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 176724064
N-[1-ethyl-5-[(3S)-3-hydroxypyrrolidin-1-yl]indazol-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 118608558
N-[6-(cyclohexylamino)-2-methylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 144883766

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-pyridinyl)-N-[2-(methylsulfonimidoyl)-7-phenylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(2-methyl-4-pyridinyl)-N-[2-(methylsulfonimidoyl)-7-phenylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide (CID 170361614) is 2-(2-methyl-4-pyridinyl)-N-[2-(methylsulfonimidoyl)-7-phenylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(2-methyl-4-pyridinyl)-N-[2-(methylsulfonimidoyl)-7-phenylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(2-methyl-4-pyridinyl)-N-[2-(methylsulfonimidoyl)-7-phenylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide is [H]N=S(C)(=O)c1cn2cc(NC(=O)c3coc(-c4ccnc(C)c4)n3)c(-c3ccccc3)cc2n1.
What is the InChIKey of 2-(2-methyl-4-pyridinyl)-N-[2-(methylsulfonimidoyl)-7-phenylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is DBKJRNKSKJGNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O3S/c1-15-10-17(8-9-26-15)24-28-20(14-33-24)23(31)27-19-12-30-13-22(34(2,25)32)29-21(30)11-18(19)16-6-4-3-5-7-16/h3-14,25H,1-2H3,(H,27,31).
What are the key properties of 2-(2-methyl-4-pyridinyl)-N-[2-(methylsulfonimidoyl)-7-phenylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide?
2-(2-methyl-4-pyridinyl)-N-[2-(methylsulfonimidoyl)-7-phenylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 472.53 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-pyridinyl)-N-[2-(methylsulfonimidoyl)-7-phenylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 170361614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).