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

C27H25FN4O2S — CID 95062521

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

(6R)-N-[(4-fluorophenyl)methyl]-6-methyl-5-[(3-methylphenyl)methyl]-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 95062521) has the molecular formula C27H25FN4O2S and a molecular weight of 488.59 g/mol. Its IUPAC name is (6R)-N-[(4-fluorophenyl)methyl]-6-methyl-5-[(3-methylphenyl)methyl]-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

• Compound Name: (6R)-N-[(4-fluorophenyl)methyl]-6-methyl-5-[(3-methylphenyl)methyl]-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• PubChem CID: 95062521
• Molecular Formula: C27H25FN4O2S
• Molecular Weight: 488.59 g/mol
• Exact Mass: 488.17
• IUPAC Name: (6R)-N-[(4-fluorophenyl)methyl]-6-methyl-5-[(3-methylphenyl)methyl]-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• SMILES: Cc1cccc(CN2C(=O)c3cc(-c4cccs4)nn3C[C@]2(C)C(=O)NCc2ccc(F)cc2)c1
• InChI: InChI=1S/C27H25FN4O2S/c1-18-5-3-6-20(13-18)16-31-25(33)23-14-22(24-7-4-12-35-24)30-32(23)17-27(31,2)26(34)29-15-19-8-10-21(28)11-9-19/h3-14H,15-17H2,1-2H3,(H,29,34)/t27-/m1/s1
• InChIKey: OUXWCJCPXAOJQJ-HHHXNRCGSA-N
• XLogP: 4.79
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.59
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (6R)-N-[(4-fluorophenyl)methyl]-6-methyl-5-[(3-methylphenyl)methyl]-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 95062521) is (6R)-N-[(4-fluorophenyl)methyl]-6-methyl-5-[(3-methylphenyl)methyl]-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

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

The canonical SMILES for (6R)-N-[(4-fluorophenyl)methyl]-6-methyl-5-[(3-methylphenyl)methyl]-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is Cc1cccc(CN2C(=O)c3cc(-c4cccs4)nn3C[C@]2(C)C(=O)NCc2ccc(F)cc2)c1.

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

The InChIKey is OUXWCJCPXAOJQJ-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H25FN4O2S/c1-18-5-3-6-20(13-18)16-31-25(33)23-14-22(24-7-4-12-35-24)30-32(23)17-27(31,2)26(34)29-15-19-8-10-21(28)11-9-19/h3-14H,15-17H2,1-2H3,(H,29,34)/t27-/m1/s1.

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

(6R)-N-[(4-fluorophenyl)methyl]-6-methyl-5-[(3-methylphenyl)methyl]-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 488.59 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-N-[(4-fluorophenyl)methyl]-6-methyl-5-[(3-methylphenyl)methyl]-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 95062521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).