6-[1-benzoyl-5-[(5-chlorothiophen-2-yl)methylamino]pyrazol-3-yl]-5-hydroxy-1-(thiophen-2-ylmethyl)pyridin-2-one

C25H19ClN4O3S2 — CID 137002534

About 6-[1-benzoyl-5-[(5-chlorothiophen-2-yl)methylamino]pyrazol-3-yl]-5-hydroxy-1-(thiophen-2-ylmethyl)pyridin-2-one

6-[1-benzoyl-5-[(5-chlorothiophen-2-yl)methylamino]pyrazol-3-yl]-5-hydroxy-1-(thiophen-2-ylmethyl)pyridin-2-one (PubChem CID 137002534) has the molecular formula C25H19ClN4O3S2 and a molecular weight of 523.04 g/mol. Its IUPAC name is 6-[1-benzoyl-5-[(5-chlorothiophen-2-yl)methylamino]pyrazol-3-yl]-5-hydroxy-1-(thiophen-2-ylmethyl)pyridin-2-one.

Molecular Properties

• Compound Name: 6-[1-benzoyl-5-[(5-chlorothiophen-2-yl)methylamino]pyrazol-3-yl]-5-hydroxy-1-(thiophen-2-ylmethyl)pyridin-2-one
• PubChem CID: 137002534
• Molecular Formula: C25H19ClN4O3S2
• Molecular Weight: 523.04 g/mol
• Exact Mass: 522.06
• IUPAC Name: 6-[1-benzoyl-5-[(5-chlorothiophen-2-yl)methylamino]pyrazol-3-yl]-5-hydroxy-1-(thiophen-2-ylmethyl)pyridin-2-one
• SMILES: O=C(c1ccccc1)n1nc(-c2c(O)ccc(=O)n2Cc2cccs2)cc1NCc1ccc(Cl)s1
• InChI: InChI=1S/C25H19ClN4O3S2/c26-21-10-8-17(35-21)14-27-22-13-19(28-30(22)25(33)16-5-2-1-3-6-16)24-20(31)9-11-23(32)29(24)15-18-7-4-12-34-18/h1-13,27,31H,14-15H2
• InChIKey: OGDOQTUYVQWHIU-UHFFFAOYSA-N
• XLogP: 5.54
• TPSA: 89.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	523.04
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-[1-benzoyl-5-[(5-chlorothiophen-2-yl)methylamino]pyrazol-3-yl]-5-hydroxy-1-(thiophen-2-ylmethyl)pyridin-2-one?

The IUPAC name of 6-[1-benzoyl-5-[(5-chlorothiophen-2-yl)methylamino]pyrazol-3-yl]-5-hydroxy-1-(thiophen-2-ylmethyl)pyridin-2-one (CID 137002534) is 6-[1-benzoyl-5-[(5-chlorothiophen-2-yl)methylamino]pyrazol-3-yl]-5-hydroxy-1-(thiophen-2-ylmethyl)pyridin-2-one.

What is the SMILES notation for 6-[1-benzoyl-5-[(5-chlorothiophen-2-yl)methylamino]pyrazol-3-yl]-5-hydroxy-1-(thiophen-2-ylmethyl)pyridin-2-one?

The canonical SMILES for 6-[1-benzoyl-5-[(5-chlorothiophen-2-yl)methylamino]pyrazol-3-yl]-5-hydroxy-1-(thiophen-2-ylmethyl)pyridin-2-one is O=C(c1ccccc1)n1nc(-c2c(O)ccc(=O)n2Cc2cccs2)cc1NCc1ccc(Cl)s1.

What is the InChIKey of 6-[1-benzoyl-5-[(5-chlorothiophen-2-yl)methylamino]pyrazol-3-yl]-5-hydroxy-1-(thiophen-2-ylmethyl)pyridin-2-one?

The InChIKey is OGDOQTUYVQWHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN4O3S2/c26-21-10-8-17(35-21)14-27-22-13-19(28-30(22)25(33)16-5-2-1-3-6-16)24-20(31)9-11-23(32)29(24)15-18-7-4-12-34-18/h1-13,27,31H,14-15H2.

What are the key properties of 6-[1-benzoyl-5-[(5-chlorothiophen-2-yl)methylamino]pyrazol-3-yl]-5-hydroxy-1-(thiophen-2-ylmethyl)pyridin-2-one?

6-[1-benzoyl-5-[(5-chlorothiophen-2-yl)methylamino]pyrazol-3-yl]-5-hydroxy-1-(thiophen-2-ylmethyl)pyridin-2-one has a molecular weight of 523.04 g/mol, XLogP of 5.54, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-benzoyl-5-[(5-chlorothiophen-2-yl)methylamino]pyrazol-3-yl]-5-hydroxy-1-(thiophen-2-ylmethyl)pyridin-2-one is sourced from PubChem (CID 137002534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).