3-methyl-6-(5-methylthiophen-2-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C23H20N4O3S — CID 24591120

IUPAC3-methyl-6-(5-methylthiophen-2-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccc(N4CCCC4=O)cc3)c3c(C)noc3n2)s1
InChIInChI=1S/C23H20N4O3S/c1-13-5-10-19(31-13)18-12-17(21-14(2)26-30-23(21)25-18)22(29)24-15-6-8-16(9-7-15)27-11-3-4-20(27)28/h5-10,12H,3-4,11H2,1-2H3,(H,24,29)
InChIKeyAIDJJZMICFZBNM-UHFFFAOYSA-N
MW432.51 g/mol
LogP4.95
Rot. Bonds4

About 3-methyl-6-(5-methylthiophen-2-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

3-methyl-6-(5-methylthiophen-2-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 24591120) has the molecular formula C23H20N4O3S and a molecular weight of 432.51 g/mol. Its IUPAC name is 3-methyl-6-(5-methylthiophen-2-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-methyl-6-(5-methylthiophen-2-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID24591120
Molecular FormulaC23H20N4O3S
Molecular Weight432.51 g/mol
Exact Mass432.13
IUPAC Name3-methyl-6-(5-methylthiophen-2-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccc(N4CCCC4=O)cc3)c3c(C)noc3n2)s1
InChIInChI=1S/C23H20N4O3S/c1-13-5-10-19(31-13)18-12-17(21-14(2)26-30-23(21)25-18)22(29)24-15-6-8-16(9-7-15)27-11-3-4-20(27)28/h5-10,12H,3-4,11H2,1-2H3,(H,24,29)
InChIKeyAIDJJZMICFZBNM-UHFFFAOYSA-N
XLogP4.95
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-fluorophenyl)-3-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 26127687
6-(2,5-dimethylthiophen-3-yl)-3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 30043234
N-(2-acetylphenyl)-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24603333
N-cyclopropyl-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24605416
3-methyl-6-(5-methylthiophen-2-yl)-N-(1,3-thiazol-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 46687764
3-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-1,2-oxazole-5-carboxamide
CID 17429991
methyl 2-methyl-2-[[3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]propanoate
CID 52576468
N-(3-fluoro-5-sulfamoylphenyl)-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 56527749
3-methyl-N-[4-(tetrazol-1-yl)phenyl]-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 18286349
N'-(furan-2-carbonyl)-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide
CID 26048596
2-N-(4-methylphenyl)-3-N-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrazine-2,3-dicarboxamide
CID 11509899
methyl 2-methyl-2-[[3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]pentanoate
CID 55597491

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(5-methylthiophen-2-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 3-methyl-6-(5-methylthiophen-2-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 24591120) is 3-methyl-6-(5-methylthiophen-2-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 3-methyl-6-(5-methylthiophen-2-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 3-methyl-6-(5-methylthiophen-2-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3ccc(N4CCCC4=O)cc3)c3c(C)noc3n2)s1.
What is the InChIKey of 3-methyl-6-(5-methylthiophen-2-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is AIDJJZMICFZBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3S/c1-13-5-10-19(31-13)18-12-17(21-14(2)26-30-23(21)25-18)22(29)24-15-6-8-16(9-7-15)27-11-3-4-20(27)28/h5-10,12H,3-4,11H2,1-2H3,(H,24,29).
What are the key properties of 3-methyl-6-(5-methylthiophen-2-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
3-methyl-6-(5-methylthiophen-2-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 432.51 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(5-methylthiophen-2-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 24591120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).