(6R)-N-tert-butyl-5-(3,5-dimethoxyphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

C24H28N4O4S — CID 95062778

About (6R)-N-tert-butyl-5-(3,5-dimethoxyphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

(6R)-N-tert-butyl-5-(3,5-dimethoxyphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 95062778) has the molecular formula C24H28N4O4S and a molecular weight of 468.58 g/mol. Its IUPAC name is (6R)-N-tert-butyl-5-(3,5-dimethoxyphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

• Compound Name: (6R)-N-tert-butyl-5-(3,5-dimethoxyphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• PubChem CID: 95062778
• Molecular Formula: C24H28N4O4S
• Molecular Weight: 468.58 g/mol
• Exact Mass: 468.18
• IUPAC Name: (6R)-N-tert-butyl-5-(3,5-dimethoxyphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• SMILES: COc1cc(OC)cc(N2C(=O)c3cc(-c4cccs4)nn3C[C@]2(C)C(=O)NC(C)(C)C)c1
• InChI: InChI=1S/C24H28N4O4S/c1-23(2,3)25-22(30)24(4)14-27-19(13-18(26-27)20-8-7-9-33-20)21(29)28(24)15-10-16(31-5)12-17(11-15)32-6/h7-13H,14H2,1-6H3,(H,25,30)/t24-/m1/s1
• InChIKey: LNYJCWYTUSQRHZ-XMMPIXPASA-N
• XLogP: 3.96
• TPSA: 85.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.58
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (6R)-N-tert-butyl-5-(3,5-dimethoxyphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The IUPAC name of (6R)-N-tert-butyl-5-(3,5-dimethoxyphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 95062778) is (6R)-N-tert-butyl-5-(3,5-dimethoxyphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

What is the SMILES notation for (6R)-N-tert-butyl-5-(3,5-dimethoxyphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The canonical SMILES for (6R)-N-tert-butyl-5-(3,5-dimethoxyphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is COc1cc(OC)cc(N2C(=O)c3cc(-c4cccs4)nn3C[C@]2(C)C(=O)NC(C)(C)C)c1.

What is the InChIKey of (6R)-N-tert-butyl-5-(3,5-dimethoxyphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The InChIKey is LNYJCWYTUSQRHZ-XMMPIXPASA-N. The full InChI is InChI=1S/C24H28N4O4S/c1-23(2,3)25-22(30)24(4)14-27-19(13-18(26-27)20-8-7-9-33-20)21(29)28(24)15-10-16(31-5)12-17(11-15)32-6/h7-13H,14H2,1-6H3,(H,25,30)/t24-/m1/s1.

What are the key properties of (6R)-N-tert-butyl-5-(3,5-dimethoxyphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

(6R)-N-tert-butyl-5-(3,5-dimethoxyphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 468.58 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-N-tert-butyl-5-(3,5-dimethoxyphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 95062778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).