5-[5-[(5-chlorothiophen-2-yl)methyl-methylamino]-4-cyano-1-(3-hydroxy-2,2-dimethylpropanoyl)pyrazol-3-yl]-N,N,4-trimethyl-2-oxopiperidine-1-carboxamide

C24H31ClN6O4S — CID 164945163

About 5-[5-[(5-chlorothiophen-2-yl)methyl-methylamino]-4-cyano-1-(3-hydroxy-2,2-dimethylpropanoyl)pyrazol-3-yl]-N,N,4-trimethyl-2-oxopiperidine-1-carboxamide

5-[5-[(5-chlorothiophen-2-yl)methyl-methylamino]-4-cyano-1-(3-hydroxy-2,2-dimethylpropanoyl)pyrazol-3-yl]-N,N,4-trimethyl-2-oxopiperidine-1-carboxamide (PubChem CID 164945163) has the molecular formula C24H31ClN6O4S and a molecular weight of 535.07 g/mol. Its IUPAC name is 5-[5-[(5-chlorothiophen-2-yl)methyl-methylamino]-4-cyano-1-(3-hydroxy-2,2-dimethylpropanoyl)pyrazol-3-yl]-N,N,4-trimethyl-2-oxopiperidine-1-carboxamide.

Molecular Properties

• Compound Name: 5-[5-[(5-chlorothiophen-2-yl)methyl-methylamino]-4-cyano-1-(3-hydroxy-2,2-dimethylpropanoyl)pyrazol-3-yl]-N,N,4-trimethyl-2-oxopiperidine-1-carboxamide
• PubChem CID: 164945163
• Molecular Formula: C24H31ClN6O4S
• Molecular Weight: 535.07 g/mol
• Exact Mass: 534.18
• IUPAC Name: 5-[5-[(5-chlorothiophen-2-yl)methyl-methylamino]-4-cyano-1-(3-hydroxy-2,2-dimethylpropanoyl)pyrazol-3-yl]-N,N,4-trimethyl-2-oxopiperidine-1-carboxamide
• SMILES: CC1CC(=O)N(C(=O)N(C)C)CC1c1nn(C(=O)C(C)(C)CO)c(N(C)Cc2ccc(Cl)s2)c1C#N
• InChI: InChI=1S/C24H31ClN6O4S/c1-14-9-19(33)30(23(35)28(4)5)12-17(14)20-16(10-26)21(29(6)11-15-7-8-18(25)36-15)31(27-20)22(34)24(2,3)13-32/h7-8,14,17,32H,9,11-13H2,1-6H3
• InChIKey: NPOCSDFJJIEXLE-UHFFFAOYSA-N
• XLogP: 3.40
• TPSA: 122.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.07
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(5-chlorothiophen-2-yl)methyl-methylamino]-4-cyano-1-(3-hydroxy-2,2-dimethylpropanoyl)pyrazol-3-yl]-N,N,4-trimethyl-2-oxopiperidine-1-carboxamide?

The IUPAC name of 5-[5-[(5-chlorothiophen-2-yl)methyl-methylamino]-4-cyano-1-(3-hydroxy-2,2-dimethylpropanoyl)pyrazol-3-yl]-N,N,4-trimethyl-2-oxopiperidine-1-carboxamide (CID 164945163) is 5-[5-[(5-chlorothiophen-2-yl)methyl-methylamino]-4-cyano-1-(3-hydroxy-2,2-dimethylpropanoyl)pyrazol-3-yl]-N,N,4-trimethyl-2-oxopiperidine-1-carboxamide.

What is the SMILES notation for 5-[5-[(5-chlorothiophen-2-yl)methyl-methylamino]-4-cyano-1-(3-hydroxy-2,2-dimethylpropanoyl)pyrazol-3-yl]-N,N,4-trimethyl-2-oxopiperidine-1-carboxamide?

The canonical SMILES for 5-[5-[(5-chlorothiophen-2-yl)methyl-methylamino]-4-cyano-1-(3-hydroxy-2,2-dimethylpropanoyl)pyrazol-3-yl]-N,N,4-trimethyl-2-oxopiperidine-1-carboxamide is CC1CC(=O)N(C(=O)N(C)C)CC1c1nn(C(=O)C(C)(C)CO)c(N(C)Cc2ccc(Cl)s2)c1C#N.

What is the InChIKey of 5-[5-[(5-chlorothiophen-2-yl)methyl-methylamino]-4-cyano-1-(3-hydroxy-2,2-dimethylpropanoyl)pyrazol-3-yl]-N,N,4-trimethyl-2-oxopiperidine-1-carboxamide?

The InChIKey is NPOCSDFJJIEXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN6O4S/c1-14-9-19(33)30(23(35)28(4)5)12-17(14)20-16(10-26)21(29(6)11-15-7-8-18(25)36-15)31(27-20)22(34)24(2,3)13-32/h7-8,14,17,32H,9,11-13H2,1-6H3.

What are the key properties of 5-[5-[(5-chlorothiophen-2-yl)methyl-methylamino]-4-cyano-1-(3-hydroxy-2,2-dimethylpropanoyl)pyrazol-3-yl]-N,N,4-trimethyl-2-oxopiperidine-1-carboxamide?

5-[5-[(5-chlorothiophen-2-yl)methyl-methylamino]-4-cyano-1-(3-hydroxy-2,2-dimethylpropanoyl)pyrazol-3-yl]-N,N,4-trimethyl-2-oxopiperidine-1-carboxamide has a molecular weight of 535.07 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[(5-chlorothiophen-2-yl)methyl-methylamino]-4-cyano-1-(3-hydroxy-2,2-dimethylpropanoyl)pyrazol-3-yl]-N,N,4-trimethyl-2-oxopiperidine-1-carboxamide is sourced from PubChem (CID 164945163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).