N-(2-cyclohexylpyrazolo[3,4-c]pyridin-5-yl)-6-(trifluoromethyl)pyrazine-2-carboxamide;3-[4-(5,5-difluoro-7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione

C39H42F5N11O4 — CID 176575210

About N-(2-cyclohexylpyrazolo[3,4-c]pyridin-5-yl)-6-(trifluoromethyl)pyrazine-2-carboxamide;3-[4-(5,5-difluoro-7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione

N-(2-cyclohexylpyrazolo[3,4-c]pyridin-5-yl)-6-(trifluoromethyl)pyrazine-2-carboxamide;3-[4-(5,5-difluoro-7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione (PubChem CID 176575210) has the molecular formula C39H42F5N11O4 and a molecular weight of 823.83 g/mol. Its IUPAC name is N-(2-cyclohexylpyrazolo[3,4-c]pyridin-5-yl)-6-(trifluoromethyl)pyrazine-2-carboxamide;3-[4-(5,5-difluoro-7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: N-(2-cyclohexylpyrazolo[3,4-c]pyridin-5-yl)-6-(trifluoromethyl)pyrazine-2-carboxamide;3-[4-(5,5-difluoro-7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
• PubChem CID: 176575210
• Molecular Formula: C39H42F5N11O4
• Molecular Weight: 823.83 g/mol
• Exact Mass: 823.33
• IUPAC Name: N-(2-cyclohexylpyrazolo[3,4-c]pyridin-5-yl)-6-(trifluoromethyl)pyrazine-2-carboxamide;3-[4-(5,5-difluoro-7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
• SMILES: CN1CCC2(CN(c3cccc4c3n(C)c(=O)n4C3CCC(=O)NC3=O)C2)C(F)(F)C1.O=C(Nc1cc2cn(C3CCCCC3)nc2cn1)c1cncc(C(F)(F)F)n1
• InChI: InChI=1S/C21H25F2N5O3.C18H17F3N6O/c1-25-9-8-20(21(22,23)12-25)10-27(11-20)13-4-3-5-14-17(13)26(2)19(31)28(14)15-6-7-16(29)24-18(15)30;19-18(20,21)15-9-22-7-14(24-15)17(28)25-16-6-11-10-27(26-13(11)8-23-16)12-4-2-1-3-5-12/h3-5,15H,6-12H2,1-2H3,(H,24,29,30);6-10,12H,1-5H2,(H,25,28)
• InChIKey: RRAHLMQDGUFFAB-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 165.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 5
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	823.83
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylpyrazolo[3,4-c]pyridin-5-yl)-6-(trifluoromethyl)pyrazine-2-carboxamide;3-[4-(5,5-difluoro-7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?

The IUPAC name of N-(2-cyclohexylpyrazolo[3,4-c]pyridin-5-yl)-6-(trifluoromethyl)pyrazine-2-carboxamide;3-[4-(5,5-difluoro-7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione (CID 176575210) is N-(2-cyclohexylpyrazolo[3,4-c]pyridin-5-yl)-6-(trifluoromethyl)pyrazine-2-carboxamide;3-[4-(5,5-difluoro-7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione.

What is the SMILES notation for N-(2-cyclohexylpyrazolo[3,4-c]pyridin-5-yl)-6-(trifluoromethyl)pyrazine-2-carboxamide;3-[4-(5,5-difluoro-7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?

The canonical SMILES for N-(2-cyclohexylpyrazolo[3,4-c]pyridin-5-yl)-6-(trifluoromethyl)pyrazine-2-carboxamide;3-[4-(5,5-difluoro-7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione is CN1CCC2(CN(c3cccc4c3n(C)c(=O)n4C3CCC(=O)NC3=O)C2)C(F)(F)C1.O=C(Nc1cc2cn(C3CCCCC3)nc2cn1)c1cncc(C(F)(F)F)n1.

What is the InChIKey of N-(2-cyclohexylpyrazolo[3,4-c]pyridin-5-yl)-6-(trifluoromethyl)pyrazine-2-carboxamide;3-[4-(5,5-difluoro-7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?

The InChIKey is RRAHLMQDGUFFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N5O3.C18H17F3N6O/c1-25-9-8-20(21(22,23)12-25)10-27(11-20)13-4-3-5-14-17(13)26(2)19(31)28(14)15-6-7-16(29)24-18(15)30;19-18(20,21)15-9-22-7-14(24-15)17(28)25-16-6-11-10-27(26-13(11)8-23-16)12-4-2-1-3-5-12/h3-5,15H,6-12H2,1-2H3,(H,24,29,30);6-10,12H,1-5H2,(H,25,28).

What are the key properties of N-(2-cyclohexylpyrazolo[3,4-c]pyridin-5-yl)-6-(trifluoromethyl)pyrazine-2-carboxamide;3-[4-(5,5-difluoro-7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?

N-(2-cyclohexylpyrazolo[3,4-c]pyridin-5-yl)-6-(trifluoromethyl)pyrazine-2-carboxamide;3-[4-(5,5-difluoro-7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione has a molecular weight of 823.83 g/mol, XLogP of 5.09, 5 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-cyclohexylpyrazolo[3,4-c]pyridin-5-yl)-6-(trifluoromethyl)pyrazine-2-carboxamide;3-[4-(5,5-difluoro-7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 176575210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).