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-[5-(trifluoromethyl)-3-pyridinyl]indazole-5-carboxamide;molecular hydrogen

C40H46F4N8O5 — CID 176575292

IUPAC2-[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-[5-(trifluoromethyl)-3-pyridinyl]indazole-5-carboxamide;molecular hydrogen
SMILESCOc1cc2nn(C3CCC(CN4CC[C@@H](c5cccc6c5n(C)c(=O)n6C5CCC(=O)NC5=O)[C@H](F)C4)CC3)cc2cc1C(=O)Nc1cncc(C(F)(F)F)c1.[H][H].[H][H]
InChIInChI=1S/C40H42F4N8O5.2H2/c1-49-36-28(4-3-5-32(36)52(39(49)56)33-10-11-35(53)47-38(33)55)27-12-13-50(21-30(27)41)19-22-6-8-26(9-7-22)51-20-23-14-29(34(57-2)16-31(23)48-51)37(54)46-25-15-24(17-45-18-25)40(42,43)44;;/h3-5,14-18,20,22,26-27,30,33H,6-13,19,21H2,1-2H3,(H,46,54)(H,47,53,55);2*1H/t22?,26?,27-,30+,33?;;/m0../s1
InChIKeyIJDPJBKSXLFHEO-KOAIYVCVSA-N
MW794.85 g/mol
LogP6.39
Rot. Bonds8

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-[5-(trifluoromethyl)-3-pyridinyl]indazole-5-carboxamide;molecular hydrogen

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-[5-(trifluoromethyl)-3-pyridinyl]indazole-5-carboxamide;molecular hydrogen (PubChem CID 176575292) has the molecular formula C40H46F4N8O5 and a molecular weight of 794.85 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-[5-(trifluoromethyl)-3-pyridinyl]indazole-5-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name2-[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-[5-(trifluoromethyl)-3-pyridinyl]indazole-5-carboxamide;molecular hydrogen
PubChem CID176575292
Molecular FormulaC40H46F4N8O5
Molecular Weight794.85 g/mol
Exact Mass794.35
IUPAC Name2-[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-[5-(trifluoromethyl)-3-pyridinyl]indazole-5-carboxamide;molecular hydrogen
SMILESCOc1cc2nn(C3CCC(CN4CC[C@@H](c5cccc6c5n(C)c(=O)n6C5CCC(=O)NC5=O)[C@H](F)C4)CC3)cc2cc1C(=O)Nc1cncc(C(F)(F)F)c1.[H][H].[H][H]
InChIInChI=1S/C40H42F4N8O5.2H2/c1-49-36-28(4-3-5-32(36)52(39(49)56)33-10-11-35(53)47-38(33)55)27-12-13-50(21-30(27)41)19-22-6-8-26(9-7-22)51-20-23-14-29(34(57-2)16-31(23)48-51)37(54)46-25-15-24(17-45-18-25)40(42,43)44;;/h3-5,14-18,20,22,26-27,30,33H,6-13,19,21H2,1-2H3,(H,46,54)(H,47,53,55);2*1H/t22?,26?,27-,30+,33?;;/m0../s1
InChIKeyIJDPJBKSXLFHEO-KOAIYVCVSA-N
XLogP6.39
TPSA145.38 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500794.85
LogP ≤ 56.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 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-[5-(trifluoromethyl)-3-pyridinyl]indazole-5-carboxamide;molecular hydrogen with MolForge

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Related Compounds

N-[2-[4-[[[1-[4-(2,4-dioxo-1,3-diazinan-1-yl)isoquinolin-7-yl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 167156523
US9796741, cmp No. 8
CID 118323611
N-[2-[4-[[2-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155437934
US20240374588, Example 58
CID 172354339
US20240374588, Example 34
CID 172354496
US20240374588, Example 57
CID 172354551
US20240374588, Example 35
CID 172879121
US20240423977, Example I-1
CID 175664342
US20240423977, Example I-2
CID 175664343
US20240423977, Example I-3
CID 175664344
US20240423977, Example I-4
CID 175664345
US20240423977, Example I-8
CID 175664346

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-[5-(trifluoromethyl)-3-pyridinyl]indazole-5-carboxamide;molecular hydrogen?
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-[5-(trifluoromethyl)-3-pyridinyl]indazole-5-carboxamide;molecular hydrogen (CID 176575292) 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-[5-(trifluoromethyl)-3-pyridinyl]indazole-5-carboxamide;molecular hydrogen.
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-[5-(trifluoromethyl)-3-pyridinyl]indazole-5-carboxamide;molecular hydrogen?
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-[5-(trifluoromethyl)-3-pyridinyl]indazole-5-carboxamide;molecular hydrogen is COc1cc2nn(C3CCC(CN4CC[C@@H](c5cccc6c5n(C)c(=O)n6C5CCC(=O)NC5=O)[C@H](F)C4)CC3)cc2cc1C(=O)Nc1cncc(C(F)(F)F)c1.[H][H].[H][H].
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-[5-(trifluoromethyl)-3-pyridinyl]indazole-5-carboxamide;molecular hydrogen?
The InChIKey is IJDPJBKSXLFHEO-KOAIYVCVSA-N. The full InChI is InChI=1S/C40H42F4N8O5.2H2/c1-49-36-28(4-3-5-32(36)52(39(49)56)33-10-11-35(53)47-38(33)55)27-12-13-50(21-30(27)41)19-22-6-8-26(9-7-22)51-20-23-14-29(34(57-2)16-31(23)48-51)37(54)46-25-15-24(17-45-18-25)40(42,43)44;;/h3-5,14-18,20,22,26-27,30,33H,6-13,19,21H2,1-2H3,(H,46,54)(H,47,53,55);2*1H/t22?,26?,27-,30+,33?;;/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-[5-(trifluoromethyl)-3-pyridinyl]indazole-5-carboxamide;molecular hydrogen?
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-[5-(trifluoromethyl)-3-pyridinyl]indazole-5-carboxamide;molecular hydrogen has a molecular weight of 794.85 g/mol, XLogP of 6.39, 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-[5-(trifluoromethyl)-3-pyridinyl]indazole-5-carboxamide;molecular hydrogen is sourced from PubChem (CID 176575292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).