N-[2-[4-[[4-[3-[1-(2-hydroxy-6-oxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propyl]piperidin-1-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C43H51F3N8O5 — CID 155449589

IUPACN-[2-[4-[[4-[3-[1-(2-hydroxy-6-oxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propyl]piperidin-1-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOc1cc2nn(C3CCC(CN4CCC(CCCc5cccc6c5n(C)c(=O)n6C5CCC(=O)NC5O)CC4)CC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C43H51F3N8O5/c1-51-39-28(8-4-10-34(39)54(42(51)58)35-16-17-38(55)49-41(35)57)7-3-6-26-18-20-52(21-19-26)24-27-12-14-30(15-13-27)53-25-29-22-33(36(59-2)23-32(29)50-53)48-40(56)31-9-5-11-37(47-31)43(44,45)46/h4-5,8-11,22-23,25-27,30,35,41,57H,3,6-7,12-21,24H2,1-2H3,(H,48,56)(H,49,55)
InChIKeyAKFMVISRGDWSOX-UHFFFAOYSA-N
MW816.93 g/mol
LogP6.60
Rot. Bonds11

About N-[2-[4-[[4-[3-[1-(2-hydroxy-6-oxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propyl]piperidin-1-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[2-[4-[[4-[3-[1-(2-hydroxy-6-oxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propyl]piperidin-1-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 155449589) has the molecular formula C43H51F3N8O5 and a molecular weight of 816.93 g/mol. Its IUPAC name is N-[2-[4-[[4-[3-[1-(2-hydroxy-6-oxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propyl]piperidin-1-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[[4-[3-[1-(2-hydroxy-6-oxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propyl]piperidin-1-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID155449589
Molecular FormulaC43H51F3N8O5
Molecular Weight816.93 g/mol
Exact Mass816.39
IUPAC NameN-[2-[4-[[4-[3-[1-(2-hydroxy-6-oxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propyl]piperidin-1-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOc1cc2nn(C3CCC(CN4CCC(CCCc5cccc6c5n(C)c(=O)n6C5CCC(=O)NC5O)CC4)CC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C43H51F3N8O5/c1-51-39-28(8-4-10-34(39)54(42(51)58)35-16-17-38(55)49-41(35)57)7-3-6-26-18-20-52(21-19-26)24-27-12-14-30(15-13-27)53-25-29-22-33(36(59-2)23-32(29)50-53)48-40(56)31-9-5-11-37(47-31)43(44,45)46/h4-5,8-11,22-23,25-27,30,35,41,57H,3,6-7,12-21,24H2,1-2H3,(H,48,56)(H,49,55)
InChIKeyAKFMVISRGDWSOX-UHFFFAOYSA-N
XLogP6.60
TPSA148.54 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500816.93
LogP ≤ 56.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze N-[2-[4-[[4-[3-[1-(2-hydroxy-6-oxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propyl]piperidin-1-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[4-[3-[1-(2-hydroxy-6-oxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propyl]piperidin-1-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[4-[[4-[3-[1-(2-hydroxy-6-oxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propyl]piperidin-1-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 155449589) is N-[2-[4-[[4-[3-[1-(2-hydroxy-6-oxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propyl]piperidin-1-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[4-[[4-[3-[1-(2-hydroxy-6-oxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propyl]piperidin-1-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[4-[[4-[3-[1-(2-hydroxy-6-oxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propyl]piperidin-1-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is COc1cc2nn(C3CCC(CN4CCC(CCCc5cccc6c5n(C)c(=O)n6C5CCC(=O)NC5O)CC4)CC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-[2-[4-[[4-[3-[1-(2-hydroxy-6-oxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propyl]piperidin-1-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is AKFMVISRGDWSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H51F3N8O5/c1-51-39-28(8-4-10-34(39)54(42(51)58)35-16-17-38(55)49-41(35)57)7-3-6-26-18-20-52(21-19-26)24-27-12-14-30(15-13-27)53-25-29-22-33(36(59-2)23-32(29)50-53)48-40(56)31-9-5-11-37(47-31)43(44,45)46/h4-5,8-11,22-23,25-27,30,35,41,57H,3,6-7,12-21,24H2,1-2H3,(H,48,56)(H,49,55).
What are the key properties of N-[2-[4-[[4-[3-[1-(2-hydroxy-6-oxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propyl]piperidin-1-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[2-[4-[[4-[3-[1-(2-hydroxy-6-oxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propyl]piperidin-1-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 816.93 g/mol, XLogP of 6.60, 11 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[[4-[3-[1-(2-hydroxy-6-oxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propyl]piperidin-1-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 155449589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).