3-cyano-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide

C27H19F2N5O3 — CID 165379923

About 3-cyano-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide

3-cyano-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 165379923) has the molecular formula C27H19F2N5O3 and a molecular weight of 499.48 g/mol. Its IUPAC name is 3-cyano-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 3-cyano-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• PubChem CID: 165379923
• Molecular Formula: C27H19F2N5O3
• Molecular Weight: 499.48 g/mol
• Exact Mass: 499.15
• IUPAC Name: 3-cyano-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• SMILES: CC(NC(=O)c1nn2cc(-c3ccc4ccccc4c3)[nH]c(=O)c2c1C#N)c1ccccc1OC(F)F
• InChI: InChI=1S/C27H19F2N5O3/c1-15(19-8-4-5-9-22(19)37-27(28)29)31-25(35)23-20(13-30)24-26(36)32-21(14-34(24)33-23)18-11-10-16-6-2-3-7-17(16)12-18/h2-12,14-15,27H,1H3,(H,31,35)(H,32,36)
• InChIKey: PCWGADQISFTBPP-UHFFFAOYSA-N
• XLogP: 4.81
• TPSA: 112.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.48
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?

The IUPAC name of 3-cyano-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide (CID 165379923) is 3-cyano-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide.

What is the SMILES notation for 3-cyano-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?

The canonical SMILES for 3-cyano-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide is CC(NC(=O)c1nn2cc(-c3ccc4ccccc4c3)[nH]c(=O)c2c1C#N)c1ccccc1OC(F)F.

What is the InChIKey of 3-cyano-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?

The InChIKey is PCWGADQISFTBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19F2N5O3/c1-15(19-8-4-5-9-22(19)37-27(28)29)31-25(35)23-20(13-30)24-26(36)32-21(14-34(24)33-23)18-11-10-16-6-2-3-7-17(16)12-18/h2-12,14-15,27H,1H3,(H,31,35)(H,32,36).

What are the key properties of 3-cyano-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?

3-cyano-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 499.48 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyano-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 165379923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).