N-[2-[4-[[(4R)-4-[1-(2,6-dioxopiperidin-3-yl)-5-fluoro-2-oxo-3H-benzimidazol-4-yl]-3,3-difluoropiperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyrazine-2-carboxamide

C37H35F6N9O4 — CID 176641311

About N-[2-[4-[[(4R)-4-[1-(2,6-dioxopiperidin-3-yl)-5-fluoro-2-oxo-3H-benzimidazol-4-yl]-3,3-difluoropiperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyrazine-2-carboxamide

N-[2-[4-[[(4R)-4-[1-(2,6-dioxopiperidin-3-yl)-5-fluoro-2-oxo-3H-benzimidazol-4-yl]-3,3-difluoropiperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyrazine-2-carboxamide (PubChem CID 176641311) has the molecular formula C37H35F6N9O4 and a molecular weight of 783.73 g/mol. Its IUPAC name is N-[2-[4-[[(4R)-4-[1-(2,6-dioxopiperidin-3-yl)-5-fluoro-2-oxo-3H-benzimidazol-4-yl]-3,3-difluoropiperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[4-[[(4R)-4-[1-(2,6-dioxopiperidin-3-yl)-5-fluoro-2-oxo-3H-benzimidazol-4-yl]-3,3-difluoropiperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyrazine-2-carboxamide
• PubChem CID: 176641311
• Molecular Formula: C37H35F6N9O4
• Molecular Weight: 783.73 g/mol
• Exact Mass: 783.27
• IUPAC Name: N-[2-[4-[[(4R)-4-[1-(2,6-dioxopiperidin-3-yl)-5-fluoro-2-oxo-3H-benzimidazol-4-yl]-3,3-difluoropiperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyrazine-2-carboxamide
• SMILES: O=C1CCC(n2c(=O)[nH]c3c([C@H]4CCN(CC5CCC(n6cc7cc(NC(=O)c8cncc(C(F)(F)F)n8)ccc7n6)CC5)CC4(F)F)c(F)ccc32)C(=O)N1
• InChI: InChI=1S/C37H35F6N9O4/c38-24-6-8-27-32(48-35(56)52(27)28-9-10-30(53)47-34(28)55)31(24)23-11-12-50(18-36(23,39)40)16-19-1-4-22(5-2-19)51-17-20-13-21(3-7-25(20)49-51)45-33(54)26-14-44-15-29(46-26)37(41,42)43/h3,6-8,13-15,17,19,22-23,28H,1-2,4-5,9-12,16,18H2,(H,45,54)(H,48,56)(H,47,53,55)/t19?,22?,23-,28?/m1/s1
• InChIKey: AAAMXOAYNAHXSH-RTSTWSDNSA-N
• XLogP: 5.71
• TPSA: 159.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	783.73
LogP ≤ 5	5.71
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[(4R)-4-[1-(2,6-dioxopiperidin-3-yl)-5-fluoro-2-oxo-3H-benzimidazol-4-yl]-3,3-difluoropiperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyrazine-2-carboxamide?

The IUPAC name of N-[2-[4-[[(4R)-4-[1-(2,6-dioxopiperidin-3-yl)-5-fluoro-2-oxo-3H-benzimidazol-4-yl]-3,3-difluoropiperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyrazine-2-carboxamide (CID 176641311) is N-[2-[4-[[(4R)-4-[1-(2,6-dioxopiperidin-3-yl)-5-fluoro-2-oxo-3H-benzimidazol-4-yl]-3,3-difluoropiperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyrazine-2-carboxamide.

What is the SMILES notation for N-[2-[4-[[(4R)-4-[1-(2,6-dioxopiperidin-3-yl)-5-fluoro-2-oxo-3H-benzimidazol-4-yl]-3,3-difluoropiperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyrazine-2-carboxamide?

The canonical SMILES for N-[2-[4-[[(4R)-4-[1-(2,6-dioxopiperidin-3-yl)-5-fluoro-2-oxo-3H-benzimidazol-4-yl]-3,3-difluoropiperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyrazine-2-carboxamide is O=C1CCC(n2c(=O)[nH]c3c([C@H]4CCN(CC5CCC(n6cc7cc(NC(=O)c8cncc(C(F)(F)F)n8)ccc7n6)CC5)CC4(F)F)c(F)ccc32)C(=O)N1.

What is the InChIKey of N-[2-[4-[[(4R)-4-[1-(2,6-dioxopiperidin-3-yl)-5-fluoro-2-oxo-3H-benzimidazol-4-yl]-3,3-difluoropiperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyrazine-2-carboxamide?

The InChIKey is AAAMXOAYNAHXSH-RTSTWSDNSA-N. The full InChI is InChI=1S/C37H35F6N9O4/c38-24-6-8-27-32(48-35(56)52(27)28-9-10-30(53)47-34(28)55)31(24)23-11-12-50(18-36(23,39)40)16-19-1-4-22(5-2-19)51-17-20-13-21(3-7-25(20)49-51)45-33(54)26-14-44-15-29(46-26)37(41,42)43/h3,6-8,13-15,17,19,22-23,28H,1-2,4-5,9-12,16,18H2,(H,45,54)(H,48,56)(H,47,53,55)/t19?,22?,23-,28?/m1/s1.

What are the key properties of N-[2-[4-[[(4R)-4-[1-(2,6-dioxopiperidin-3-yl)-5-fluoro-2-oxo-3H-benzimidazol-4-yl]-3,3-difluoropiperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyrazine-2-carboxamide?

N-[2-[4-[[(4R)-4-[1-(2,6-dioxopiperidin-3-yl)-5-fluoro-2-oxo-3H-benzimidazol-4-yl]-3,3-difluoropiperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyrazine-2-carboxamide has a molecular weight of 783.73 g/mol, XLogP of 5.71, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[[(4R)-4-[1-(2,6-dioxopiperidin-3-yl)-5-fluoro-2-oxo-3H-benzimidazol-4-yl]-3,3-difluoropiperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 176641311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).