6-[5-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-5-hydroxy-1-(2-oxo-2-pyridin-4-ylethyl)pyridin-2-one

C26H26ClN5O4S — CID 145048349

About 6-[5-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-5-hydroxy-1-(2-oxo-2-pyridin-4-ylethyl)pyridin-2-one

6-[5-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-5-hydroxy-1-(2-oxo-2-pyridin-4-ylethyl)pyridin-2-one (PubChem CID 145048349) has the molecular formula C26H26ClN5O4S and a molecular weight of 540.05 g/mol. Its IUPAC name is 6-[5-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-5-hydroxy-1-(2-oxo-2-pyridin-4-ylethyl)pyridin-2-one.

Molecular Properties

• Compound Name: 6-[5-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-5-hydroxy-1-(2-oxo-2-pyridin-4-ylethyl)pyridin-2-one
• PubChem CID: 145048349
• Molecular Formula: C26H26ClN5O4S
• Molecular Weight: 540.05 g/mol
• Exact Mass: 539.14
• IUPAC Name: 6-[5-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-5-hydroxy-1-(2-oxo-2-pyridin-4-ylethyl)pyridin-2-one
• SMILES: CN(Cc1ccc(Cl)s1)c1cc(-c2c(O)ccc(=O)n2CC(=O)c2ccncc2)nn1C(=O)C(C)(C)C
• InChI: InChI=1S/C26H26ClN5O4S/c1-26(2,3)25(36)32-22(30(4)14-17-5-7-21(27)37-17)13-18(29-32)24-19(33)6-8-23(35)31(24)15-20(34)16-9-11-28-12-10-16/h5-13,33H,14-15H2,1-4H3
• InChIKey: VAMUJCZXBRVJKF-UHFFFAOYSA-N
• XLogP: 4.73
• TPSA: 110.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	540.05
LogP ≤ 5	4.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-[5-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-5-hydroxy-1-(2-oxo-2-pyridin-4-ylethyl)pyridin-2-one?

The IUPAC name of 6-[5-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-5-hydroxy-1-(2-oxo-2-pyridin-4-ylethyl)pyridin-2-one (CID 145048349) is 6-[5-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-5-hydroxy-1-(2-oxo-2-pyridin-4-ylethyl)pyridin-2-one.

What is the SMILES notation for 6-[5-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-5-hydroxy-1-(2-oxo-2-pyridin-4-ylethyl)pyridin-2-one?

The canonical SMILES for 6-[5-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-5-hydroxy-1-(2-oxo-2-pyridin-4-ylethyl)pyridin-2-one is CN(Cc1ccc(Cl)s1)c1cc(-c2c(O)ccc(=O)n2CC(=O)c2ccncc2)nn1C(=O)C(C)(C)C.

What is the InChIKey of 6-[5-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-5-hydroxy-1-(2-oxo-2-pyridin-4-ylethyl)pyridin-2-one?

The InChIKey is VAMUJCZXBRVJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN5O4S/c1-26(2,3)25(36)32-22(30(4)14-17-5-7-21(27)37-17)13-18(29-32)24-19(33)6-8-23(35)31(24)15-20(34)16-9-11-28-12-10-16/h5-13,33H,14-15H2,1-4H3.

What are the key properties of 6-[5-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-5-hydroxy-1-(2-oxo-2-pyridin-4-ylethyl)pyridin-2-one?

6-[5-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-5-hydroxy-1-(2-oxo-2-pyridin-4-ylethyl)pyridin-2-one has a molecular weight of 540.05 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-5-hydroxy-1-(2-oxo-2-pyridin-4-ylethyl)pyridin-2-one is sourced from PubChem (CID 145048349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).