About N-[1-cyclohexyl-2-[4-[[1-[2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]piperidin-1-yl]-2-oxoethyl]-3-[1-[2-[(2,4-difluorophenyl)methylamino]acetyl]piperidin-3-yl]-2-fluorobenzamide;ethane;pentane;propane
N-[1-cyclohexyl-2-[4-[[1-[2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]piperidin-1-yl]-2-oxoethyl]-3-[1-[2-[(2,4-difluorophenyl)methylamino]acetyl]piperidin-3-yl]-2-fluorobenzamide;ethane;pentane;propane (PubChem CID 176579377) has the molecular formula C72H99F4N9O6
and a molecular weight of 1262.63 g/mol. Its IUPAC name is N-[1-cyclohexyl-2-[4-[[1-[2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]piperidin-1-yl]-2-oxoethyl]-3-[1-[2-[(2,4-difluorophenyl)methylamino]acetyl]piperidin-3-yl]-2-fluorobenzamide;ethane;pentane;propane.
Analyze N-[1-cyclohexyl-2-[4-[[1-[2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]piperidin-1-yl]-2-oxoethyl]-3-[1-[2-[(2,4-difluorophenyl)methylamino]acetyl]piperidin-3-yl]-2-fluorobenzamide;ethane;pentane;propane with MolForge
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Frequently Asked Questions
What is the IUPAC name of N-[1-cyclohexyl-2-[4-[[1-[2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]piperidin-1-yl]-2-oxoethyl]-3-[1-[2-[(2,4-difluorophenyl)methylamino]acetyl]piperidin-3-yl]-2-fluorobenzamide;ethane;pentane;propane?
The IUPAC name of N-[1-cyclohexyl-2-[4-[[1-[2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]piperidin-1-yl]-2-oxoethyl]-3-[1-[2-[(2,4-difluorophenyl)methylamino]acetyl]piperidin-3-yl]-2-fluorobenzamide;ethane;pentane;propane (CID 176579377) is N-[1-cyclohexyl-2-[4-[[1-[2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]piperidin-1-yl]-2-oxoethyl]-3-[1-[2-[(2,4-difluorophenyl)methylamino]acetyl]piperidin-3-yl]-2-fluorobenzamide;ethane;pentane;propane.
What is the SMILES notation for N-[1-cyclohexyl-2-[4-[[1-[2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]piperidin-1-yl]-2-oxoethyl]-3-[1-[2-[(2,4-difluorophenyl)methylamino]acetyl]piperidin-3-yl]-2-fluorobenzamide;ethane;pentane;propane?
The canonical SMILES for N-[1-cyclohexyl-2-[4-[[1-[2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]piperidin-1-yl]-2-oxoethyl]-3-[1-[2-[(2,4-difluorophenyl)methylamino]acetyl]piperidin-3-yl]-2-fluorobenzamide;ethane;pentane;propane is CC.CCC.CCCCC.O=C(NC(C(=O)N1CCC(CC2CCN(CC(=O)N3CCN(C(=O)c4cc(Cc5n[nH]c(=O)c6ccccc56)ccc4F)CC3)CC2)CC1)C1CCCCC1)c1cccc(C2CCCN(C(=O)CNCc3ccc(F)cc3F)C2)c1F.
What is the InChIKey of N-[1-cyclohexyl-2-[4-[[1-[2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]piperidin-1-yl]-2-oxoethyl]-3-[1-[2-[(2,4-difluorophenyl)methylamino]acetyl]piperidin-3-yl]-2-fluorobenzamide;ethane;pentane;propane?
The InChIKey is DZFQWOKXMIHVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H73F4N9O6.C5H12.C3H8.C2H6/c63-46-17-16-44(53(65)35-46)36-67-37-55(76)75-23-7-10-45(38-75)47-13-6-14-50(57(47)66)59(78)68-58(43-8-2-1-3-9-43)62(81)73-26-21-41(22-27-73)32-40-19-24-71(25-20-40)39-56(77)72-28-30-74(31-29-72)61(80)51-33-42(15-18-52(51)64)34-54-48-11-4-5-12-49(48)60(79)70-69-54;1-3-5-4-2;1-3-2;1-2/h4-6,11-18,33,35,40-41,43,45,58,67H,1-3,7-10,19-32,34,36-39H2,(H,68,78)(H,70,79);3-5H2,1-2H3;3H2,1-2H3;1-2H3.
What are the key properties of N-[1-cyclohexyl-2-[4-[[1-[2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]piperidin-1-yl]-2-oxoethyl]-3-[1-[2-[(2,4-difluorophenyl)methylamino]acetyl]piperidin-3-yl]-2-fluorobenzamide;ethane;pentane;propane?
N-[1-cyclohexyl-2-[4-[[1-[2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]piperidin-1-yl]-2-oxoethyl]-3-[1-[2-[(2,4-difluorophenyl)methylamino]acetyl]piperidin-3-yl]-2-fluorobenzamide;ethane;pentane;propane has a molecular weight of 1262.63 g/mol, XLogP of 12.21, 18 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclohexyl-2-[4-[[1-[2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]piperidin-1-yl]-2-oxoethyl]-3-[1-[2-[(2,4-difluorophenyl)methylamino]acetyl]piperidin-3-yl]-2-fluorobenzamide;ethane;pentane;propane is sourced from PubChem (CID 176579377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).