6-cyclopropyl-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C22H26N4O4S — CID 78877230

IUPAC6-cyclopropyl-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C3CC3)nc3onc(C(C)C)c23)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C22H26N4O4S/c1-12(2)20-19-16(11-17(14-7-8-14)24-22(19)30-25-20)21(27)23-15-9-6-13(3)18(10-15)31(28,29)26(4)5/h6,9-12,14H,7-8H2,1-5H3,(H,23,27)
InChIKeyIWUXUMFYVKHHEQ-UHFFFAOYSA-N
MW442.54 g/mol
LogP4.03
Rot. Bonds6

About 6-cyclopropyl-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 78877230) has the molecular formula C22H26N4O4S and a molecular weight of 442.54 g/mol. Its IUPAC name is 6-cyclopropyl-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID78877230
Molecular FormulaC22H26N4O4S
Molecular Weight442.54 g/mol
Exact Mass442.17
IUPAC Name6-cyclopropyl-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C3CC3)nc3onc(C(C)C)c23)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C22H26N4O4S/c1-12(2)20-19-16(11-17(14-7-8-14)24-22(19)30-25-20)21(27)23-15-9-6-13(3)18(10-15)31(28,29)26(4)5/h6,9-12,14H,7-8H2,1-5H3,(H,23,27)
InChIKeyIWUXUMFYVKHHEQ-UHFFFAOYSA-N
XLogP4.03
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 78877230) is 6-cyclopropyl-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1ccc(NC(=O)c2cc(C3CC3)nc3onc(C(C)C)c23)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 6-cyclopropyl-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is IWUXUMFYVKHHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4S/c1-12(2)20-19-16(11-17(14-7-8-14)24-22(19)30-25-20)21(27)23-15-9-6-13(3)18(10-15)31(28,29)26(4)5/h6,9-12,14H,7-8H2,1-5H3,(H,23,27).
What are the key properties of 6-cyclopropyl-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 442.54 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 78877230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).