N-(4,5-dimethyl-1,2-oxazol-3-yl)-4-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-3-methyl-1,2-oxazole-5-sulfonamide

C26H28N6O4S — CID 25051649

IUPACN-(4,5-dimethyl-1,2-oxazol-3-yl)-4-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-3-methyl-1,2-oxazole-5-sulfonamide
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2c(C)noc2S(=O)(=O)Nc2noc(C)c2C)cc1
InChIInChI=1S/C26H28N6O4S/c1-7-21-28-23-14(2)12-15(3)27-25(23)32(21)13-19-8-10-20(11-9-19)22-17(5)29-36-26(22)37(33,34)31-24-16(4)18(6)35-30-24/h8-12H,7,13H2,1-6H3,(H,30,31)
InChIKeyQVYKEDFRNYXOFH-UHFFFAOYSA-N
MW520.62 g/mol
LogP5.03
Rot. Bonds7

About N-(4,5-dimethyl-1,2-oxazol-3-yl)-4-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-3-methyl-1,2-oxazole-5-sulfonamide

N-(4,5-dimethyl-1,2-oxazol-3-yl)-4-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-3-methyl-1,2-oxazole-5-sulfonamide (PubChem CID 25051649) has the molecular formula C26H28N6O4S and a molecular weight of 520.62 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,2-oxazol-3-yl)-4-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-3-methyl-1,2-oxazole-5-sulfonamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,2-oxazol-3-yl)-4-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-3-methyl-1,2-oxazole-5-sulfonamide
PubChem CID25051649
Molecular FormulaC26H28N6O4S
Molecular Weight520.62 g/mol
Exact Mass520.19
IUPAC NameN-(4,5-dimethyl-1,2-oxazol-3-yl)-4-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-3-methyl-1,2-oxazole-5-sulfonamide
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2c(C)noc2S(=O)(=O)Nc2noc(C)c2C)cc1
InChIInChI=1S/C26H28N6O4S/c1-7-21-28-23-14(2)12-15(3)27-25(23)32(21)13-19-8-10-20(11-9-19)22-17(5)29-36-26(22)37(33,34)31-24-16(4)18(6)35-30-24/h8-12H,7,13H2,1-6H3,(H,30,31)
InChIKeyQVYKEDFRNYXOFH-UHFFFAOYSA-N
XLogP5.03
TPSA128.94 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.62
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-(4,5-dimethyl-1,2-oxazol-3-yl)-4-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-3-methyl-1,2-oxazole-5-sulfonamide with MolForge

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Related Compounds

N-[2-[2-[2-[2-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]ethylamino]ethyl]acetamide
CID 69179727
N-(4,5-dimethyl-1,2-oxazol-3-yl)-6-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]piperidin-1-yl]cyclohexa-1,5-diene-1-sulfonamide
CID 170417153
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(ethylaminomethyl)-4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]benzenesulfonamide
CID 59917086
3-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one
CID 135955631
4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-N-phenylaniline
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4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-N-propylaniline
CID 19385717
3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-1-benzothiophene-2-carboxylic acid
CID 139640862
N-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]sulfonylbutanamide
CID 10028545
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CID 67885969
N-(2-bromophenyl)sulfonyl-5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzenesulfonamide
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5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzenesulfonamide
CID 54442569
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CID 11975311

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,2-oxazol-3-yl)-4-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-3-methyl-1,2-oxazole-5-sulfonamide?
The IUPAC name of N-(4,5-dimethyl-1,2-oxazol-3-yl)-4-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-3-methyl-1,2-oxazole-5-sulfonamide (CID 25051649) is N-(4,5-dimethyl-1,2-oxazol-3-yl)-4-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-3-methyl-1,2-oxazole-5-sulfonamide.
What is the SMILES notation for N-(4,5-dimethyl-1,2-oxazol-3-yl)-4-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-3-methyl-1,2-oxazole-5-sulfonamide?
The canonical SMILES for N-(4,5-dimethyl-1,2-oxazol-3-yl)-4-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-3-methyl-1,2-oxazole-5-sulfonamide is CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2c(C)noc2S(=O)(=O)Nc2noc(C)c2C)cc1.
What is the InChIKey of N-(4,5-dimethyl-1,2-oxazol-3-yl)-4-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-3-methyl-1,2-oxazole-5-sulfonamide?
The InChIKey is QVYKEDFRNYXOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O4S/c1-7-21-28-23-14(2)12-15(3)27-25(23)32(21)13-19-8-10-20(11-9-19)22-17(5)29-36-26(22)37(33,34)31-24-16(4)18(6)35-30-24/h8-12H,7,13H2,1-6H3,(H,30,31).
What are the key properties of N-(4,5-dimethyl-1,2-oxazol-3-yl)-4-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-3-methyl-1,2-oxazole-5-sulfonamide?
N-(4,5-dimethyl-1,2-oxazol-3-yl)-4-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-3-methyl-1,2-oxazole-5-sulfonamide has a molecular weight of 520.62 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,2-oxazol-3-yl)-4-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-3-methyl-1,2-oxazole-5-sulfonamide is sourced from PubChem (CID 25051649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).