(6R)-5,6-dimethyl-6-N-[(4-methylphenyl)methyl]-4-oxo-2-N-(3-propylsulfanylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

C24H33N5O3S — CID 92744134

About (6R)-5,6-dimethyl-6-N-[(4-methylphenyl)methyl]-4-oxo-2-N-(3-propylsulfanylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

(6R)-5,6-dimethyl-6-N-[(4-methylphenyl)methyl]-4-oxo-2-N-(3-propylsulfanylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (PubChem CID 92744134) has the molecular formula C24H33N5O3S and a molecular weight of 471.63 g/mol. Its IUPAC name is (6R)-5,6-dimethyl-6-N-[(4-methylphenyl)methyl]-4-oxo-2-N-(3-propylsulfanylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.

Molecular Properties

• Compound Name: (6R)-5,6-dimethyl-6-N-[(4-methylphenyl)methyl]-4-oxo-2-N-(3-propylsulfanylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
• PubChem CID: 92744134
• Molecular Formula: C24H33N5O3S
• Molecular Weight: 471.63 g/mol
• Exact Mass: 471.23
• IUPAC Name: (6R)-5,6-dimethyl-6-N-[(4-methylphenyl)methyl]-4-oxo-2-N-(3-propylsulfanylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
• SMILES: CCCSCCCNC(=O)c1cc2n(n1)C[C@](C)(C(=O)NCc1ccc(C)cc1)N(C)C2=O
• InChI: InChI=1S/C24H33N5O3S/c1-5-12-33-13-6-11-25-21(30)19-14-20-22(31)28(4)24(3,16-29(20)27-19)23(32)26-15-18-9-7-17(2)8-10-18/h7-10,14H,5-6,11-13,15-16H2,1-4H3,(H,25,30)(H,26,32)/t24-/m1/s1
• InChIKey: GLTJVHNYKBFDPX-XMMPIXPASA-N
• XLogP: 2.62
• TPSA: 96.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.63
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (6R)-5,6-dimethyl-6-N-[(4-methylphenyl)methyl]-4-oxo-2-N-(3-propylsulfanylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?

The IUPAC name of (6R)-5,6-dimethyl-6-N-[(4-methylphenyl)methyl]-4-oxo-2-N-(3-propylsulfanylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (CID 92744134) is (6R)-5,6-dimethyl-6-N-[(4-methylphenyl)methyl]-4-oxo-2-N-(3-propylsulfanylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.

What is the SMILES notation for (6R)-5,6-dimethyl-6-N-[(4-methylphenyl)methyl]-4-oxo-2-N-(3-propylsulfanylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?

The canonical SMILES for (6R)-5,6-dimethyl-6-N-[(4-methylphenyl)methyl]-4-oxo-2-N-(3-propylsulfanylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is CCCSCCCNC(=O)c1cc2n(n1)C[C@](C)(C(=O)NCc1ccc(C)cc1)N(C)C2=O.

What is the InChIKey of (6R)-5,6-dimethyl-6-N-[(4-methylphenyl)methyl]-4-oxo-2-N-(3-propylsulfanylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?

The InChIKey is GLTJVHNYKBFDPX-XMMPIXPASA-N. The full InChI is InChI=1S/C24H33N5O3S/c1-5-12-33-13-6-11-25-21(30)19-14-20-22(31)28(4)24(3,16-29(20)27-19)23(32)26-15-18-9-7-17(2)8-10-18/h7-10,14H,5-6,11-13,15-16H2,1-4H3,(H,25,30)(H,26,32)/t24-/m1/s1.

What are the key properties of (6R)-5,6-dimethyl-6-N-[(4-methylphenyl)methyl]-4-oxo-2-N-(3-propylsulfanylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?

(6R)-5,6-dimethyl-6-N-[(4-methylphenyl)methyl]-4-oxo-2-N-(3-propylsulfanylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide has a molecular weight of 471.63 g/mol, XLogP of 2.62, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-5,6-dimethyl-6-N-[(4-methylphenyl)methyl]-4-oxo-2-N-(3-propylsulfanylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is sourced from PubChem (CID 92744134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).