3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-oxazole-5-carbonyl)pyrazol-3-yl]-5-ethenyl-1-(1,2-thiazol-3-ylmethyl)pyridin-2-one

C23H17ClN6O3S2 — CID 118959353

IUPAC3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-oxazole-5-carbonyl)pyrazol-3-yl]-5-ethenyl-1-(1,2-thiazol-3-ylmethyl)pyridin-2-one
SMILESC=Cc1cc(-c2cc(NCc3ccc(Cl)s3)n(C(=O)c3ccno3)n2)c(=O)n(Cc2ccsn2)c1
InChIInChI=1S/C23H17ClN6O3S2/c1-2-14-9-17(22(31)29(12-14)13-15-6-8-34-28-15)18-10-21(25-11-16-3-4-20(24)35-16)30(27-18)23(32)19-5-7-26-33-19/h2-10,12,25H,1,11,13H2
InChIKeyYYLCMONQAUQEOY-UHFFFAOYSA-N
MW525.02 g/mol
LogP4.86
Rot. Bonds8

About 3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-oxazole-5-carbonyl)pyrazol-3-yl]-5-ethenyl-1-(1,2-thiazol-3-ylmethyl)pyridin-2-one

3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-oxazole-5-carbonyl)pyrazol-3-yl]-5-ethenyl-1-(1,2-thiazol-3-ylmethyl)pyridin-2-one (PubChem CID 118959353) has the molecular formula C23H17ClN6O3S2 and a molecular weight of 525.02 g/mol. Its IUPAC name is 3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-oxazole-5-carbonyl)pyrazol-3-yl]-5-ethenyl-1-(1,2-thiazol-3-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-oxazole-5-carbonyl)pyrazol-3-yl]-5-ethenyl-1-(1,2-thiazol-3-ylmethyl)pyridin-2-one
PubChem CID118959353
Molecular FormulaC23H17ClN6O3S2
Molecular Weight525.02 g/mol
Exact Mass524.05
IUPAC Name3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-oxazole-5-carbonyl)pyrazol-3-yl]-5-ethenyl-1-(1,2-thiazol-3-ylmethyl)pyridin-2-one
SMILESC=Cc1cc(-c2cc(NCc3ccc(Cl)s3)n(C(=O)c3ccno3)n2)c(=O)n(Cc2ccsn2)c1
InChIInChI=1S/C23H17ClN6O3S2/c1-2-14-9-17(22(31)29(12-14)13-15-6-8-34-28-15)18-10-21(25-11-16-3-4-20(24)35-16)30(27-18)23(32)19-5-7-26-33-19/h2-10,12,25H,1,11,13H2
InChIKeyYYLCMONQAUQEOY-UHFFFAOYSA-N
XLogP4.86
TPSA107.84 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.02
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-oxazole-5-carbonyl)pyrazol-3-yl]-5-ethenyl-1-(1,2-thiazol-3-ylmethyl)pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-oxazole-5-carbonyl)pyrazol-3-yl]-5-ethenyl-1-(1,2-thiazol-3-ylmethyl)pyridin-2-one?
The IUPAC name of 3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-oxazole-5-carbonyl)pyrazol-3-yl]-5-ethenyl-1-(1,2-thiazol-3-ylmethyl)pyridin-2-one (CID 118959353) is 3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-oxazole-5-carbonyl)pyrazol-3-yl]-5-ethenyl-1-(1,2-thiazol-3-ylmethyl)pyridin-2-one.
What is the SMILES notation for 3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-oxazole-5-carbonyl)pyrazol-3-yl]-5-ethenyl-1-(1,2-thiazol-3-ylmethyl)pyridin-2-one?
The canonical SMILES for 3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-oxazole-5-carbonyl)pyrazol-3-yl]-5-ethenyl-1-(1,2-thiazol-3-ylmethyl)pyridin-2-one is C=Cc1cc(-c2cc(NCc3ccc(Cl)s3)n(C(=O)c3ccno3)n2)c(=O)n(Cc2ccsn2)c1.
What is the InChIKey of 3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-oxazole-5-carbonyl)pyrazol-3-yl]-5-ethenyl-1-(1,2-thiazol-3-ylmethyl)pyridin-2-one?
The InChIKey is YYLCMONQAUQEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN6O3S2/c1-2-14-9-17(22(31)29(12-14)13-15-6-8-34-28-15)18-10-21(25-11-16-3-4-20(24)35-16)30(27-18)23(32)19-5-7-26-33-19/h2-10,12,25H,1,11,13H2.
What are the key properties of 3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-oxazole-5-carbonyl)pyrazol-3-yl]-5-ethenyl-1-(1,2-thiazol-3-ylmethyl)pyridin-2-one?
3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-oxazole-5-carbonyl)pyrazol-3-yl]-5-ethenyl-1-(1,2-thiazol-3-ylmethyl)pyridin-2-one has a molecular weight of 525.02 g/mol, XLogP of 4.86, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-oxazole-5-carbonyl)pyrazol-3-yl]-5-ethenyl-1-(1,2-thiazol-3-ylmethyl)pyridin-2-one is sourced from PubChem (CID 118959353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).