N-[6-(difluoromethyl)-2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C40H41F5N8O4 — CID 155449311

IUPACN-[6-(difluoromethyl)-2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCn1c(=O)n(C2CCC(=O)NC2=O)c2ccc(C3CCN(CC4CCC(n5cc6cc(NC(=O)c7cccc(C(F)(F)F)n7)c(C(F)F)cc6n5)CC4)CC3)cc21
InChIInChI=1S/C40H41F5N8O4/c1-50-33-18-24(7-10-31(33)53(39(50)57)32-11-12-35(54)48-38(32)56)23-13-15-51(16-14-23)20-22-5-8-26(9-6-22)52-21-25-17-30(27(36(41)42)19-29(25)49-52)47-37(55)28-3-2-4-34(46-28)40(43,44)45/h2-4,7,10,17-19,21-23,26,32,36H,5-6,8-9,11-16,20H2,1H3,(H,47,55)(H,48,54,56)
InChIKeyRFNXHKYVCMJAHQ-UHFFFAOYSA-N
MW792.81 g/mol
LogP6.88
Rot. Bonds8

About N-[6-(difluoromethyl)-2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[6-(difluoromethyl)-2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 155449311) has the molecular formula C40H41F5N8O4 and a molecular weight of 792.81 g/mol. Its IUPAC name is N-[6-(difluoromethyl)-2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-(difluoromethyl)-2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID155449311
Molecular FormulaC40H41F5N8O4
Molecular Weight792.81 g/mol
Exact Mass792.32
IUPAC NameN-[6-(difluoromethyl)-2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCn1c(=O)n(C2CCC(=O)NC2=O)c2ccc(C3CCN(CC4CCC(n5cc6cc(NC(=O)c7cccc(C(F)(F)F)n7)c(C(F)F)cc6n5)CC4)CC3)cc21
InChIInChI=1S/C40H41F5N8O4/c1-50-33-18-24(7-10-31(33)53(39(50)57)32-11-12-35(54)48-38(32)56)23-13-15-51(16-14-23)20-22-5-8-26(9-6-22)52-21-25-17-30(27(36(41)42)19-29(25)49-52)47-37(55)28-3-2-4-34(46-28)40(43,44)45/h2-4,7,10,17-19,21-23,26,32,36H,5-6,8-9,11-16,20H2,1H3,(H,47,55)(H,48,54,56)
InChIKeyRFNXHKYVCMJAHQ-UHFFFAOYSA-N
XLogP6.88
TPSA136.15 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.81
LogP ≤ 56.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N-[6-(difluoromethyl)-2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-(difluoromethyl)-2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[6-(difluoromethyl)-2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 155449311) is N-[6-(difluoromethyl)-2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[6-(difluoromethyl)-2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[6-(difluoromethyl)-2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is Cn1c(=O)n(C2CCC(=O)NC2=O)c2ccc(C3CCN(CC4CCC(n5cc6cc(NC(=O)c7cccc(C(F)(F)F)n7)c(C(F)F)cc6n5)CC4)CC3)cc21.
What is the InChIKey of N-[6-(difluoromethyl)-2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is RFNXHKYVCMJAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H41F5N8O4/c1-50-33-18-24(7-10-31(33)53(39(50)57)32-11-12-35(54)48-38(32)56)23-13-15-51(16-14-23)20-22-5-8-26(9-6-22)52-21-25-17-30(27(36(41)42)19-29(25)49-52)47-37(55)28-3-2-4-34(46-28)40(43,44)45/h2-4,7,10,17-19,21-23,26,32,36H,5-6,8-9,11-16,20H2,1H3,(H,47,55)(H,48,54,56).
What are the key properties of N-[6-(difluoromethyl)-2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[6-(difluoromethyl)-2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 792.81 g/mol, XLogP of 6.88, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(difluoromethyl)-2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 155449311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).