(6S)-N-(3-cyanophenyl)-5-[4-[cyclobutyl(difluoro)methyl]phenyl]-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide

C26H23F2N5O2 — CID 170713139

About (6S)-N-(3-cyanophenyl)-5-[4-[cyclobutyl(difluoro)methyl]phenyl]-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide

(6S)-N-(3-cyanophenyl)-5-[4-[cyclobutyl(difluoro)methyl]phenyl]-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 170713139) has the molecular formula C26H23F2N5O2 and a molecular weight of 475.50 g/mol. Its IUPAC name is (6S)-N-(3-cyanophenyl)-5-[4-[cyclobutyl(difluoro)methyl]phenyl]-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

• Compound Name: (6S)-N-(3-cyanophenyl)-5-[4-[cyclobutyl(difluoro)methyl]phenyl]-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
• PubChem CID: 170713139
• Molecular Formula: C26H23F2N5O2
• Molecular Weight: 475.50 g/mol
• Exact Mass: 475.18
• IUPAC Name: (6S)-N-(3-cyanophenyl)-5-[4-[cyclobutyl(difluoro)methyl]phenyl]-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
• SMILES: C[C@H]1Cn2ncc(C(=O)Nc3cccc(C#N)c3)c2C(=O)N1c1ccc(C(F)(F)C2CCC2)cc1
• InChI: InChI=1S/C26H23F2N5O2/c1-16-15-32-23(22(14-30-32)24(34)31-20-7-2-4-17(12-20)13-29)25(35)33(16)21-10-8-19(9-11-21)26(27,28)18-5-3-6-18/h2,4,7-12,14,16,18H,3,5-6,15H2,1H3,(H,31,34)/t16-/m0/s1
• InChIKey: DYYGHQYODMCHDO-INIZCTEOSA-N
• XLogP: 4.95
• TPSA: 91.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.50
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (6S)-N-(3-cyanophenyl)-5-[4-[cyclobutyl(difluoro)methyl]phenyl]-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide?

The IUPAC name of (6S)-N-(3-cyanophenyl)-5-[4-[cyclobutyl(difluoro)methyl]phenyl]-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide (CID 170713139) is (6S)-N-(3-cyanophenyl)-5-[4-[cyclobutyl(difluoro)methyl]phenyl]-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide.

What is the SMILES notation for (6S)-N-(3-cyanophenyl)-5-[4-[cyclobutyl(difluoro)methyl]phenyl]-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide?

The canonical SMILES for (6S)-N-(3-cyanophenyl)-5-[4-[cyclobutyl(difluoro)methyl]phenyl]-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide is C[C@H]1Cn2ncc(C(=O)Nc3cccc(C#N)c3)c2C(=O)N1c1ccc(C(F)(F)C2CCC2)cc1.

What is the InChIKey of (6S)-N-(3-cyanophenyl)-5-[4-[cyclobutyl(difluoro)methyl]phenyl]-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide?

The InChIKey is DYYGHQYODMCHDO-INIZCTEOSA-N. The full InChI is InChI=1S/C26H23F2N5O2/c1-16-15-32-23(22(14-30-32)24(34)31-20-7-2-4-17(12-20)13-29)25(35)33(16)21-10-8-19(9-11-21)26(27,28)18-5-3-6-18/h2,4,7-12,14,16,18H,3,5-6,15H2,1H3,(H,31,34)/t16-/m0/s1.

What are the key properties of (6S)-N-(3-cyanophenyl)-5-[4-[cyclobutyl(difluoro)methyl]phenyl]-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide?

(6S)-N-(3-cyanophenyl)-5-[4-[cyclobutyl(difluoro)methyl]phenyl]-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 475.50 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-N-(3-cyanophenyl)-5-[4-[cyclobutyl(difluoro)methyl]phenyl]-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 170713139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).