2-[4-[[(3S,4S)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3-fluoropiperidin-1-yl]methyl]cyclohexyl]-6-methoxy-N-[6-(trifluoromethyl)-2-pyridinyl]indazole-5-carboxamide

C40H42F4N8O5 — CID 176575265

About 2-[4-[[(3S,4S)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3-fluoropiperidin-1-yl]methyl]cyclohexyl]-6-methoxy-N-[6-(trifluoromethyl)-2-pyridinyl]indazole-5-carboxamide

2-[4-[[(3S,4S)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3-fluoropiperidin-1-yl]methyl]cyclohexyl]-6-methoxy-N-[6-(trifluoromethyl)-2-pyridinyl]indazole-5-carboxamide (PubChem CID 176575265) has the molecular formula C40H42F4N8O5 and a molecular weight of 790.82 g/mol. Its IUPAC name is 2-[4-[[(3S,4S)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3-fluoropiperidin-1-yl]methyl]cyclohexyl]-6-methoxy-N-[6-(trifluoromethyl)-2-pyridinyl]indazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-[4-[[(3S,4S)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3-fluoropiperidin-1-yl]methyl]cyclohexyl]-6-methoxy-N-[6-(trifluoromethyl)-2-pyridinyl]indazole-5-carboxamide
• PubChem CID: 176575265
• Molecular Formula: C40H42F4N8O5
• Molecular Weight: 790.82 g/mol
• Exact Mass: 790.32
• IUPAC Name: 2-[4-[[(3S,4S)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3-fluoropiperidin-1-yl]methyl]cyclohexyl]-6-methoxy-N-[6-(trifluoromethyl)-2-pyridinyl]indazole-5-carboxamide
• SMILES: COc1cc2nn(C3CCC(CN4CC[C@@H](c5cccc6c5n(C)c(=O)n6C5CCC(=O)NC5=O)[C@H](F)C4)CC3)cc2cc1C(=O)Nc1cccc(C(F)(F)F)n1
• InChI: InChI=1S/C40H42F4N8O5/c1-49-36-26(5-3-6-30(36)52(39(49)56)31-13-14-35(53)47-38(31)55)25-15-16-50(21-28(25)41)19-22-9-11-24(12-10-22)51-20-23-17-27(32(57-2)18-29(23)48-51)37(54)46-34-8-4-7-33(45-34)40(42,43)44/h3-8,17-18,20,22,24-25,28,31H,9-16,19,21H2,1-2H3,(H,45,46,54)(H,47,53,55)/t22?,24?,25-,28+,31?/m0/s1
• InChIKey: OKNZYDHQYVDUCQ-YDFDVRCWSA-N
• XLogP: 5.90
• TPSA: 145.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	790.82
LogP ≤ 5	5.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(3S,4S)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3-fluoropiperidin-1-yl]methyl]cyclohexyl]-6-methoxy-N-[6-(trifluoromethyl)-2-pyridinyl]indazole-5-carboxamide?

The IUPAC name of 2-[4-[[(3S,4S)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3-fluoropiperidin-1-yl]methyl]cyclohexyl]-6-methoxy-N-[6-(trifluoromethyl)-2-pyridinyl]indazole-5-carboxamide (CID 176575265) is 2-[4-[[(3S,4S)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3-fluoropiperidin-1-yl]methyl]cyclohexyl]-6-methoxy-N-[6-(trifluoromethyl)-2-pyridinyl]indazole-5-carboxamide.

What is the SMILES notation for 2-[4-[[(3S,4S)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3-fluoropiperidin-1-yl]methyl]cyclohexyl]-6-methoxy-N-[6-(trifluoromethyl)-2-pyridinyl]indazole-5-carboxamide?

The canonical SMILES for 2-[4-[[(3S,4S)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3-fluoropiperidin-1-yl]methyl]cyclohexyl]-6-methoxy-N-[6-(trifluoromethyl)-2-pyridinyl]indazole-5-carboxamide is COc1cc2nn(C3CCC(CN4CC[C@@H](c5cccc6c5n(C)c(=O)n6C5CCC(=O)NC5=O)[C@H](F)C4)CC3)cc2cc1C(=O)Nc1cccc(C(F)(F)F)n1.

What is the InChIKey of 2-[4-[[(3S,4S)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3-fluoropiperidin-1-yl]methyl]cyclohexyl]-6-methoxy-N-[6-(trifluoromethyl)-2-pyridinyl]indazole-5-carboxamide?

The InChIKey is OKNZYDHQYVDUCQ-YDFDVRCWSA-N. The full InChI is InChI=1S/C40H42F4N8O5/c1-49-36-26(5-3-6-30(36)52(39(49)56)31-13-14-35(53)47-38(31)55)25-15-16-50(21-28(25)41)19-22-9-11-24(12-10-22)51-20-23-17-27(32(57-2)18-29(23)48-51)37(54)46-34-8-4-7-33(45-34)40(42,43)44/h3-8,17-18,20,22,24-25,28,31H,9-16,19,21H2,1-2H3,(H,45,46,54)(H,47,53,55)/t22?,24?,25-,28+,31?/m0/s1.

What are the key properties of 2-[4-[[(3S,4S)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3-fluoropiperidin-1-yl]methyl]cyclohexyl]-6-methoxy-N-[6-(trifluoromethyl)-2-pyridinyl]indazole-5-carboxamide?

2-[4-[[(3S,4S)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3-fluoropiperidin-1-yl]methyl]cyclohexyl]-6-methoxy-N-[6-(trifluoromethyl)-2-pyridinyl]indazole-5-carboxamide has a molecular weight of 790.82 g/mol, XLogP of 5.90, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[[(3S,4S)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3-fluoropiperidin-1-yl]methyl]cyclohexyl]-6-methoxy-N-[6-(trifluoromethyl)-2-pyridinyl]indazole-5-carboxamide is sourced from PubChem (CID 176575265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).