About 4-[[3-(1-azaspiro[3.3]heptane-1-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-[6-(cyclopropanecarbonyl)-1,6-diazaspiro[3.3]heptane-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-[6-(4-methylphenyl)-1-azaspiro[3.3]heptane-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-[6-(4-methylphenyl)-1,6-diazaspiro[3.3]heptane-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-(6-propoxy-1-azaspiro[3.3]heptane-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-azaspiro[3.3]heptane-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,6-diazaspiro[3.3]heptane-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;methane
4-[[3-(1-azaspiro[3.3]heptane-1-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-[6-(cyclopropanecarbonyl)-1,6-diazaspiro[3.3]heptane-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-[6-(4-methylphenyl)-1-azaspiro[3.3]heptane-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-[6-(4-methylphenyl)-1,6-diazaspiro[3.3]heptane-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-(6-propoxy-1-azaspiro[3.3]heptane-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-azaspiro[3.3]heptane-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,6-diazaspiro[3.3]heptane-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;methane (PubChem CID 158683463) has the molecular formula C197H193B2F7N24O20
and a molecular weight of 3371.47 g/mol. Its IUPAC name is 4-[[3-(1-azaspiro[3.3]heptane-1-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-[6-(cyclopropanecarbonyl)-1,6-diazaspiro[3.3]heptane-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-[6-(4-methylphenyl)-1-azaspiro[3.3]heptane-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-[6-(4-methylphenyl)-1,6-diazaspiro[3.3]heptane-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-(6-propoxy-1-azaspiro[3.3]heptane-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-azaspiro[3.3]heptane-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,6-diazaspiro[3.3]heptane-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;methane.
Frequently Asked Questions
What is the IUPAC name of 4-[[3-(1-azaspiro[3.3]heptane-1-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-[6-(cyclopropanecarbonyl)-1,6-diazaspiro[3.3]heptane-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-[6-(4-methylphenyl)-1-azaspiro[3.3]heptane-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-[6-(4-methylphenyl)-1,6-diazaspiro[3.3]heptane-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-(6-propoxy-1-azaspiro[3.3]heptane-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-azaspiro[3.3]heptane-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,6-diazaspiro[3.3]heptane-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;methane?
The IUPAC name of 4-[[3-(1-azaspiro[3.3]heptane-1-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-[6-(cyclopropanecarbonyl)-1,6-diazaspiro[3.3]heptane-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-[6-(4-methylphenyl)-1-azaspiro[3.3]heptane-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-[6-(4-methylphenyl)-1,6-diazaspiro[3.3]heptane-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-(6-propoxy-1-azaspiro[3.3]heptane-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-azaspiro[3.3]heptane-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,6-diazaspiro[3.3]heptane-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;methane (CID 158683463) is 4-[[3-(1-azaspiro[3.3]heptane-1-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-[6-(cyclopropanecarbonyl)-1,6-diazaspiro[3.3]heptane-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-[6-(4-methylphenyl)-1-azaspiro[3.3]heptane-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-[6-(4-methylphenyl)-1,6-diazaspiro[3.3]heptane-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-(6-propoxy-1-azaspiro[3.3]heptane-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-azaspiro[3.3]heptane-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,6-diazaspiro[3.3]heptane-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;methane.
What is the SMILES notation for 4-[[3-(1-azaspiro[3.3]heptane-1-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-[6-(cyclopropanecarbonyl)-1,6-diazaspiro[3.3]heptane-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-[6-(4-methylphenyl)-1-azaspiro[3.3]heptane-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-[6-(4-methylphenyl)-1,6-diazaspiro[3.3]heptane-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-(6-propoxy-1-azaspiro[3.3]heptane-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-azaspiro[3.3]heptane-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,6-diazaspiro[3.3]heptane-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;methane?
The canonical SMILES for 4-[[3-(1-azaspiro[3.3]heptane-1-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-[6-(cyclopropanecarbonyl)-1,6-diazaspiro[3.3]heptane-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-[6-(4-methylphenyl)-1-azaspiro[3.3]heptane-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-[6-(4-methylphenyl)-1,6-diazaspiro[3.3]heptane-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-(6-propoxy-1-azaspiro[3.3]heptane-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-azaspiro[3.3]heptane-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,6-diazaspiro[3.3]heptane-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;methane is C.CC1(C)OB(c2ccc(C3CC4(CCN4C(=O)c4cc(Cc5n[nH]c(=O)c6ccccc56)ccc4F)C3)cc2)OC1(C)C.CC1(C)OB(c2ccc(N3CC4(CCN4C(=O)c4cc(Cc5n[nH]c(=O)c6ccccc56)ccc4F)C3)cc2)OC1(C)C.CCCOC1CC2(CCN2C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)C1.Cc1ccc(C2CC3(CCN3C(=O)c3cc(Cc4n[nH]c(=O)c5ccccc45)ccc3F)C2)cc1.Cc1ccc(N2CC3(CCN3C(=O)c3cc(Cc4n[nH]c(=O)c5ccccc45)ccc3F)C2)cc1.O=C(C1CC1)N1CC2(CCN2C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)C1.O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCC12CCC2.
What is the InChIKey of 4-[[3-(1-azaspiro[3.3]heptane-1-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-[6-(cyclopropanecarbonyl)-1,6-diazaspiro[3.3]heptane-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-[6-(4-methylphenyl)-1-azaspiro[3.3]heptane-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-[6-(4-methylphenyl)-1,6-diazaspiro[3.3]heptane-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-(6-propoxy-1-azaspiro[3.3]heptane-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-azaspiro[3.3]heptane-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,6-diazaspiro[3.3]heptane-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;methane?
The InChIKey is IFKXFEMLPFWWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35BFN3O4.C33H34BFN4O4.C29H26FN3O2.C28H25FN4O2.C25H23FN4O3.C25H26FN3O3.C22H20FN3O2.CH4/c1-32(2)33(3,4)43-35(42-32)24-12-10-22(11-13-24)23-19-34(20-23)15-16-39(34)31(41)27-17-21(9-14-28(27)36)18-29-25-7-5-6-8-26(25)30(40)38-37-29;1-31(2)32(3,4)43-34(42-31)22-10-12-23(13-11-22)38-19-33(20-38)15-16-39(33)30(41)26-17-21(9-14-27(26)35)18-28-24-7-5-6-8-25(24)29(40)37-36-28;1-18-6-9-20(10-7-18)21-16-29(17-21)12-13-33(29)28(35)24-14-19(8-11-25(24)30)15-26-22-4-2-3-5-23(22)27(34)32-31-26;1-18-6-9-20(10-7-18)32-16-28(17-32)12-13-33(28)27(35)23-14-19(8-11-24(23)29)15-25-21-4-2-3-5-22(21)26(34)31-30-25;26-20-8-5-15(12-21-17-3-1-2-4-18(17)22(31)28-27-21)11-19(20)24(33)30-10-9-25(30)13-29(14-25)23(32)16-6-7-16;1-2-11-32-17-14-25(15-17)9-10-29(25)24(31)20-12-16(7-8-21(20)26)13-22-18-5-3-4-6-19(18)23(30)28-27-22;23-18-7-6-14(12-17(18)21(28)26-11-10-22(26)8-3-9-22)13-19-15-4-1-2-5-16(15)20(27)25-24-19;/h5-14,17,23H,15-16,18-20H2,1-4H3,(H,38,40);5-14,17H,15-16,18-20H2,1-4H3,(H,37,40);2-11,14,21H,12-13,15-17H2,1H3,(H,32,34);2-11,14H,12-13,15-17H2,1H3,(H,31,34);1-5,8,11,16H,6-7,9-10,12-14H2,(H,28,31);3-8,12,17H,2,9-11,13-15H2,1H3,(H,28,30);1-2,4-7,12H,3,8-11,13H2,(H,25,27);1H4.
What are the key properties of 4-[[3-(1-azaspiro[3.3]heptane-1-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-[6-(cyclopropanecarbonyl)-1,6-diazaspiro[3.3]heptane-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-[6-(4-methylphenyl)-1-azaspiro[3.3]heptane-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-[6-(4-methylphenyl)-1,6-diazaspiro[3.3]heptane-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-(6-propoxy-1-azaspiro[3.3]heptane-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-azaspiro[3.3]heptane-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,6-diazaspiro[3.3]heptane-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;methane?
4-[[3-(1-azaspiro[3.3]heptane-1-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-[6-(cyclopropanecarbonyl)-1,6-diazaspiro[3.3]heptane-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-[6-(4-methylphenyl)-1-azaspiro[3.3]heptane-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-[6-(4-methylphenyl)-1,6-diazaspiro[3.3]heptane-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-(6-propoxy-1-azaspiro[3.3]heptane-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-azaspiro[3.3]heptane-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,6-diazaspiro[3.3]heptane-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;methane has a molecular weight of 3371.47 g/mol, XLogP of 28.74, 31 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(1-azaspiro[3.3]heptane-1-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-[6-(cyclopropanecarbonyl)-1,6-diazaspiro[3.3]heptane-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-[6-(4-methylphenyl)-1-azaspiro[3.3]heptane-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-[6-(4-methylphenyl)-1,6-diazaspiro[3.3]heptane-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-(6-propoxy-1-azaspiro[3.3]heptane-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-azaspiro[3.3]heptane-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,6-diazaspiro[3.3]heptane-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;methane is sourced from PubChem (CID 158683463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).