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

C24H22N4O3S — CID 30043234

IUPAC6-(2,5-dimethylthiophen-3-yl)-3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)Nc3ccccc3N3CCCC3=O)c3c(C)noc3n2)c(C)s1
InChIInChI=1S/C24H22N4O3S/c1-13-11-16(15(3)32-13)19-12-17(22-14(2)27-31-24(22)26-19)23(30)25-18-7-4-5-8-20(18)28-10-6-9-21(28)29/h4-5,7-8,11-12H,6,9-10H2,1-3H3,(H,25,30)
InChIKeyGDNRZXOAYSNERE-UHFFFAOYSA-N
MW446.53 g/mol
LogP5.26
Rot. Bonds4

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

6-(2,5-dimethylthiophen-3-yl)-3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 30043234) has the molecular formula C24H22N4O3S and a molecular weight of 446.53 g/mol. Its IUPAC name is 6-(2,5-dimethylthiophen-3-yl)-3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(2,5-dimethylthiophen-3-yl)-3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID30043234
Molecular FormulaC24H22N4O3S
Molecular Weight446.53 g/mol
Exact Mass446.14
IUPAC Name6-(2,5-dimethylthiophen-3-yl)-3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)Nc3ccccc3N3CCCC3=O)c3c(C)noc3n2)c(C)s1
InChIInChI=1S/C24H22N4O3S/c1-13-11-16(15(3)32-13)19-12-17(22-14(2)27-31-24(22)26-19)23(30)25-18-7-4-5-8-20(18)28-10-6-9-21(28)29/h4-5,7-8,11-12H,6,9-10H2,1-3H3,(H,25,30)
InChIKeyGDNRZXOAYSNERE-UHFFFAOYSA-N
XLogP5.26
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.53
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

6-(2,5-dimethylthiophen-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16582727
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
6-(4-fluorophenyl)-3-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 26127687
N-(4-acetyl-1,3-thiazol-2-yl)-6-(2,5-dimethylthiophen-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134051382
N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 30212740
6-(2,5-dimethylthiophen-3-yl)-3-methyl-N-(3-morpholin-4-ylpropyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78838579
N-(2-acetylphenyl)-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24603333
6-(2,5-dimethylthiophen-3-yl)-N-[2-(ethylamino)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119507261
(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 6-(2,5-dimethylthiophen-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 43051191
6-(2,5-dimethylthiophen-3-yl)-N-[3-(imidazol-1-ylmethyl)phenyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 146086511
(4-aminopiperidin-1-yl)-[6-(2,5-dimethylthiophen-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone;hydrochloride
CID 119375060
2,5-dichloro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 26709772

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylthiophen-3-yl)-3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 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) is 6-(2,5-dimethylthiophen-3-yl)-3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(2,5-dimethylthiophen-3-yl)-3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(2,5-dimethylthiophen-3-yl)-3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(-c2cc(C(=O)Nc3ccccc3N3CCCC3=O)c3c(C)noc3n2)c(C)s1.
What is the InChIKey of 6-(2,5-dimethylthiophen-3-yl)-3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is GDNRZXOAYSNERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3S/c1-13-11-16(15(3)32-13)19-12-17(22-14(2)27-31-24(22)26-19)23(30)25-18-7-4-5-8-20(18)28-10-6-9-21(28)29/h4-5,7-8,11-12H,6,9-10H2,1-3H3,(H,25,30).
What are the key properties of 6-(2,5-dimethylthiophen-3-yl)-3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-(2,5-dimethylthiophen-3-yl)-3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 446.53 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylthiophen-3-yl)-3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 30043234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).