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

C25H27FN4O2S — CID 92738602

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

(6R)-N-cyclohexyl-5-[(4-fluorophenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 92738602) has the molecular formula C25H27FN4O2S and a molecular weight of 466.58 g/mol. Its IUPAC name is (6R)-N-cyclohexyl-5-[(4-fluorophenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

• Compound Name: (6R)-N-cyclohexyl-5-[(4-fluorophenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• PubChem CID: 92738602
• Molecular Formula: C25H27FN4O2S
• Molecular Weight: 466.58 g/mol
• Exact Mass: 466.18
• IUPAC Name: (6R)-N-cyclohexyl-5-[(4-fluorophenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• SMILES: C[C@]1(C(=O)NC2CCCCC2)Cn2nc(-c3cccs3)cc2C(=O)N1Cc1ccc(F)cc1
• InChI: InChI=1S/C25H27FN4O2S/c1-25(24(32)27-19-6-3-2-4-7-19)16-30-21(14-20(28-30)22-8-5-13-33-22)23(31)29(25)15-17-9-11-18(26)12-10-17/h5,8-14,19H,2-4,6-7,15-16H2,1H3,(H,27,32)/t25-/m1/s1
• InChIKey: ZBCPVIPCPXYYMS-RUZDIDTESA-N
• XLogP: 4.61
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.58
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (6R)-N-cyclohexyl-5-[(4-fluorophenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 92738602) is (6R)-N-cyclohexyl-5-[(4-fluorophenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

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

The canonical SMILES for (6R)-N-cyclohexyl-5-[(4-fluorophenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is C[C@]1(C(=O)NC2CCCCC2)Cn2nc(-c3cccs3)cc2C(=O)N1Cc1ccc(F)cc1.

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

The InChIKey is ZBCPVIPCPXYYMS-RUZDIDTESA-N. The full InChI is InChI=1S/C25H27FN4O2S/c1-25(24(32)27-19-6-3-2-4-7-19)16-30-21(14-20(28-30)22-8-5-13-33-22)23(31)29(25)15-17-9-11-18(26)12-10-17/h5,8-14,19H,2-4,6-7,15-16H2,1H3,(H,27,32)/t25-/m1/s1.

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

(6R)-N-cyclohexyl-5-[(4-fluorophenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 466.58 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-N-cyclohexyl-5-[(4-fluorophenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 92738602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).