5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-thiazole-4-carbonyl)pyrazol-3-yl]-3-ethenyl-1-(1,2-oxazol-5-ylmethyl)pyridin-2-one

C23H17ClN6O3S2 — CID 145048387

About 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-thiazole-4-carbonyl)pyrazol-3-yl]-3-ethenyl-1-(1,2-oxazol-5-ylmethyl)pyridin-2-one

5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-thiazole-4-carbonyl)pyrazol-3-yl]-3-ethenyl-1-(1,2-oxazol-5-ylmethyl)pyridin-2-one (PubChem CID 145048387) has the molecular formula C23H17ClN6O3S2 and a molecular weight of 525.02 g/mol. Its IUPAC name is 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-thiazole-4-carbonyl)pyrazol-3-yl]-3-ethenyl-1-(1,2-oxazol-5-ylmethyl)pyridin-2-one.

Molecular Properties

• Compound Name: 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-thiazole-4-carbonyl)pyrazol-3-yl]-3-ethenyl-1-(1,2-oxazol-5-ylmethyl)pyridin-2-one
• PubChem CID: 145048387
• Molecular Formula: C23H17ClN6O3S2
• Molecular Weight: 525.02 g/mol
• Exact Mass: 524.05
• IUPAC Name: 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-thiazole-4-carbonyl)pyrazol-3-yl]-3-ethenyl-1-(1,2-oxazol-5-ylmethyl)pyridin-2-one
• SMILES: C=Cc1cc(-c2cc(NCc3ccc(Cl)s3)n(C(=O)c3cnsc3)n2)cn(Cc2ccno2)c1=O
• InChI: InChI=1S/C23H17ClN6O3S2/c1-2-14-7-15(11-29(22(14)31)12-17-5-6-26-33-17)19-8-21(25-10-18-3-4-20(24)35-18)30(28-19)23(32)16-9-27-34-13-16/h2-9,11,13,25H,1,10,12H2
• InChIKey: NRGUSEGTHDZZAC-UHFFFAOYSA-N
• XLogP: 4.86
• TPSA: 107.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.02
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-thiazole-4-carbonyl)pyrazol-3-yl]-3-ethenyl-1-(1,2-oxazol-5-ylmethyl)pyridin-2-one?

The IUPAC name of 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-thiazole-4-carbonyl)pyrazol-3-yl]-3-ethenyl-1-(1,2-oxazol-5-ylmethyl)pyridin-2-one (CID 145048387) is 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-thiazole-4-carbonyl)pyrazol-3-yl]-3-ethenyl-1-(1,2-oxazol-5-ylmethyl)pyridin-2-one.

What is the SMILES notation for 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-thiazole-4-carbonyl)pyrazol-3-yl]-3-ethenyl-1-(1,2-oxazol-5-ylmethyl)pyridin-2-one?

The canonical SMILES for 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-thiazole-4-carbonyl)pyrazol-3-yl]-3-ethenyl-1-(1,2-oxazol-5-ylmethyl)pyridin-2-one is C=Cc1cc(-c2cc(NCc3ccc(Cl)s3)n(C(=O)c3cnsc3)n2)cn(Cc2ccno2)c1=O.

What is the InChIKey of 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-thiazole-4-carbonyl)pyrazol-3-yl]-3-ethenyl-1-(1,2-oxazol-5-ylmethyl)pyridin-2-one?

The InChIKey is NRGUSEGTHDZZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN6O3S2/c1-2-14-7-15(11-29(22(14)31)12-17-5-6-26-33-17)19-8-21(25-10-18-3-4-20(24)35-18)30(28-19)23(32)16-9-27-34-13-16/h2-9,11,13,25H,1,10,12H2.

What are the key properties of 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-thiazole-4-carbonyl)pyrazol-3-yl]-3-ethenyl-1-(1,2-oxazol-5-ylmethyl)pyridin-2-one?

5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-thiazole-4-carbonyl)pyrazol-3-yl]-3-ethenyl-1-(1,2-oxazol-5-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 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-thiazole-4-carbonyl)pyrazol-3-yl]-3-ethenyl-1-(1,2-oxazol-5-ylmethyl)pyridin-2-one is sourced from PubChem (CID 145048387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).