7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(dimethylcarbamoyl)cuban-1-yl]methyl]-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(methylamino)cuban-1-yl]methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;bis(3-fluoro-7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide);3-fluoro-7-N-[(1-methylsulfonylazetidin-3-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane

C181H165F7N46O33S — CID 160830635

IUPAC7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(dimethylcarbamoyl)cuban-1-yl]methyl]-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(methylamino)cuban-1-yl]methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;bis(3-fluoro-7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide);3-fluoro-7-N-[(1-methylsulfonylazetidin-3-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane
SMILESC.C.C.CC(=O)C12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc3oc(=O)[nH]c3c2)nc2c(F)cnn12.CC12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc3oc(=O)[nH]c3c2)nc2c(F)cnn12.CC12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc3oc(=O)[nH]c3c2)nc2c(F)cnn12.CN(C)C(=O)C12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc3oc(=O)[nH]c3c2)nc2c(F)cnn12.CNC12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc3oc(=O)[nH]c3c2)nc2c(F)cnn12.CS(=O)(=O)N1CC(CNC(=O)c2cc(C(=O)NCc3ccc4oc(=O)[nH]c4c3)nc3c(F)cnn23)C1.C[C@H](NC(=O)c1cc(C(=O)NCc2ccc3oc(=O)[nH]c3c2)nc2c(F)cnn12)C(=O)N1CCCCC1
InChIInChI=1S/C28H24FN7O5.C27H21FN6O5.C26H22FN7O4.2C26H21FN6O4.C24H24FN7O5.C21H20FN7O6S.3CH4/c1-35(2)25(39)28-19-16-20(28)18-21(28)17(19)27(16,18)9-31-24(38)14-6-13(33-22-11(29)8-32-36(14)22)23(37)30-7-10-3-4-15-12(5-10)34-26(40)41-15;1-9(35)27-19-16-20(27)18-21(27)17(19)26(16,18)8-30-24(37)14-5-13(32-22-11(28)7-31-34(14)22)23(36)29-6-10-2-3-15-12(4-10)33-25(38)39-15;1-28-26-18-15-19(26)17-20(26)16(18)25(15,17)8-30-23(36)13-5-12(32-21-10(27)7-31-34(13)21)22(35)29-6-9-2-3-14-11(4-9)33-24(37)38-14;2*1-25-15-18-16(25)20-17(25)19(15)26(18,20)8-29-23(35)13-5-12(31-21-10(27)7-30-33(13)21)22(34)28-6-9-2-3-14-11(4-9)32-24(36)37-14;1-13(23(35)31-7-3-2-4-8-31)28-22(34)18-10-17(29-20-15(25)12-27-32(18)20)21(33)26-11-14-5-6-19-16(9-14)30-24(36)37-19;1-36(33,34)28-9-12(10-28)7-24-20(31)16-5-15(26-18-13(22)8-25-29(16)18)19(30)23-6-11-2-3-17-14(4-11)27-21(32)35-17;;;/h3-6,8,16-21H,7,9H2,1-2H3,(H,30,37)(H,31,38)(H,34,40);2-5,7,16-21H,6,8H2,1H3,(H,29,36)(H,30,37)(H,33,38);2-5,7,15-20,28H,6,8H2,1H3,(H,29,35)(H,30,36)(H,33,37);2*2-5,7,15-20H,6,8H2,1H3,(H,28,34)(H,29,35)(H,32,36);5-6,9-10,12-13H,2-4,7-8,11H2,1H3,(H,26,33)(H,28,34)(H,30,36);2-5,8,12H,6-7,9-10H2,1H3,(H,23,30)(H,24,31)(H,27,32);3*1H4/t;;;;;13-;;;;/m.....0..../s1
InChIKeySGTFRQANOIWHOF-PLBDAFGKSA-N
MW3677.65 g/mol
LogP9.32
Rot. Bonds46

About 7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(dimethylcarbamoyl)cuban-1-yl]methyl]-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(methylamino)cuban-1-yl]methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;bis(3-fluoro-7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide);3-fluoro-7-N-[(1-methylsulfonylazetidin-3-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane

7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(dimethylcarbamoyl)cuban-1-yl]methyl]-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(methylamino)cuban-1-yl]methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;bis(3-fluoro-7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide);3-fluoro-7-N-[(1-methylsulfonylazetidin-3-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane (PubChem CID 160830635) has the molecular formula C181H165F7N46O33S and a molecular weight of 3677.65 g/mol. Its IUPAC name is 7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(dimethylcarbamoyl)cuban-1-yl]methyl]-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(methylamino)cuban-1-yl]methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;bis(3-fluoro-7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide);3-fluoro-7-N-[(1-methylsulfonylazetidin-3-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane.

Molecular Properties

Compound Name7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(dimethylcarbamoyl)cuban-1-yl]methyl]-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(methylamino)cuban-1-yl]methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;bis(3-fluoro-7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide);3-fluoro-7-N-[(1-methylsulfonylazetidin-3-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane
PubChem CID160830635
Molecular FormulaC181H165F7N46O33S
Molecular Weight3677.65 g/mol
Exact Mass3675.23
IUPAC Name7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(dimethylcarbamoyl)cuban-1-yl]methyl]-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(methylamino)cuban-1-yl]methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;bis(3-fluoro-7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide);3-fluoro-7-N-[(1-methylsulfonylazetidin-3-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane
SMILESC.C.C.CC(=O)C12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc3oc(=O)[nH]c3c2)nc2c(F)cnn12.CC12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc3oc(=O)[nH]c3c2)nc2c(F)cnn12.CC12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc3oc(=O)[nH]c3c2)nc2c(F)cnn12.CN(C)C(=O)C12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc3oc(=O)[nH]c3c2)nc2c(F)cnn12.CNC12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc3oc(=O)[nH]c3c2)nc2c(F)cnn12.CS(=O)(=O)N1CC(CNC(=O)c2cc(C(=O)NCc3ccc4oc(=O)[nH]c4c3)nc3c(F)cnn23)C1.C[C@H](NC(=O)c1cc(C(=O)NCc2ccc3oc(=O)[nH]c3c2)nc2c(F)cnn12)C(=O)N1CCCCC1
InChIInChI=1S/C28H24FN7O5.C27H21FN6O5.C26H22FN7O4.2C26H21FN6O4.C24H24FN7O5.C21H20FN7O6S.3CH4/c1-35(2)25(39)28-19-16-20(28)18-21(28)17(19)27(16,18)9-31-24(38)14-6-13(33-22-11(29)8-32-36(14)22)23(37)30-7-10-3-4-15-12(5-10)34-26(40)41-15;1-9(35)27-19-16-20(27)18-21(27)17(19)26(16,18)8-30-24(37)14-5-13(32-22-11(28)7-31-34(14)22)23(36)29-6-10-2-3-15-12(4-10)33-25(38)39-15;1-28-26-18-15-19(26)17-20(26)16(18)25(15,17)8-30-23(36)13-5-12(32-21-10(27)7-31-34(13)21)22(35)29-6-9-2-3-14-11(4-9)33-24(37)38-14;2*1-25-15-18-16(25)20-17(25)19(15)26(18,20)8-29-23(35)13-5-12(31-21-10(27)7-30-33(13)21)22(34)28-6-9-2-3-14-11(4-9)32-24(36)37-14;1-13(23(35)31-7-3-2-4-8-31)28-22(34)18-10-17(29-20-15(25)12-27-32(18)20)21(33)26-11-14-5-6-19-16(9-14)30-24(36)37-19;1-36(33,34)28-9-12(10-28)7-24-20(31)16-5-15(26-18-13(22)8-25-29(16)18)19(30)23-6-11-2-3-17-14(4-11)27-21(32)35-17;;;/h3-6,8,16-21H,7,9H2,1-2H3,(H,30,37)(H,31,38)(H,34,40);2-5,7,16-21H,6,8H2,1H3,(H,29,36)(H,30,37)(H,33,38);2-5,7,15-20,28H,6,8H2,1H3,(H,29,35)(H,30,36)(H,33,37);2*2-5,7,15-20H,6,8H2,1H3,(H,28,34)(H,29,35)(H,32,36);5-6,9-10,12-13H,2-4,7-8,11H2,1H3,(H,26,33)(H,28,34)(H,30,36);2-5,8,12H,6-7,9-10H2,1H3,(H,23,30)(H,24,31)(H,27,32);3*1H4/t;;;;;13-;;;;/m.....0..../s1
InChIKeySGTFRQANOIWHOF-PLBDAFGKSA-N
XLogP9.32
TPSA1047.83 Ų
H-Bond Donors22
H-Bond Acceptors55
Rotatable Bonds46
Heavy Atoms268
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003677.65
LogP ≤ 59.32
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1055

Analyze 7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(dimethylcarbamoyl)cuban-1-yl]methyl]-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(methylamino)cuban-1-yl]methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;bis(3-fluoro-7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide);3-fluoro-7-N-[(1-methylsulfonylazetidin-3-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(dimethylcarbamoyl)cuban-1-yl]methyl]-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(methylamino)cuban-1-yl]methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;bis(3-fluoro-7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide);3-fluoro-7-N-[(1-methylsulfonylazetidin-3-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane?
The IUPAC name of 7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(dimethylcarbamoyl)cuban-1-yl]methyl]-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(methylamino)cuban-1-yl]methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;bis(3-fluoro-7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide);3-fluoro-7-N-[(1-methylsulfonylazetidin-3-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane (CID 160830635) is 7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(dimethylcarbamoyl)cuban-1-yl]methyl]-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(methylamino)cuban-1-yl]methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;bis(3-fluoro-7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide);3-fluoro-7-N-[(1-methylsulfonylazetidin-3-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane.
What is the SMILES notation for 7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(dimethylcarbamoyl)cuban-1-yl]methyl]-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(methylamino)cuban-1-yl]methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;bis(3-fluoro-7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide);3-fluoro-7-N-[(1-methylsulfonylazetidin-3-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane?
The canonical SMILES for 7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(dimethylcarbamoyl)cuban-1-yl]methyl]-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(methylamino)cuban-1-yl]methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;bis(3-fluoro-7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide);3-fluoro-7-N-[(1-methylsulfonylazetidin-3-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane is C.C.C.CC(=O)C12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc3oc(=O)[nH]c3c2)nc2c(F)cnn12.CC12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc3oc(=O)[nH]c3c2)nc2c(F)cnn12.CC12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc3oc(=O)[nH]c3c2)nc2c(F)cnn12.CN(C)C(=O)C12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc3oc(=O)[nH]c3c2)nc2c(F)cnn12.CNC12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc3oc(=O)[nH]c3c2)nc2c(F)cnn12.CS(=O)(=O)N1CC(CNC(=O)c2cc(C(=O)NCc3ccc4oc(=O)[nH]c4c3)nc3c(F)cnn23)C1.C[C@H](NC(=O)c1cc(C(=O)NCc2ccc3oc(=O)[nH]c3c2)nc2c(F)cnn12)C(=O)N1CCCCC1.
What is the InChIKey of 7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(dimethylcarbamoyl)cuban-1-yl]methyl]-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(methylamino)cuban-1-yl]methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;bis(3-fluoro-7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide);3-fluoro-7-N-[(1-methylsulfonylazetidin-3-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane?
The InChIKey is SGTFRQANOIWHOF-PLBDAFGKSA-N. The full InChI is InChI=1S/C28H24FN7O5.C27H21FN6O5.C26H22FN7O4.2C26H21FN6O4.C24H24FN7O5.C21H20FN7O6S.3CH4/c1-35(2)25(39)28-19-16-20(28)18-21(28)17(19)27(16,18)9-31-24(38)14-6-13(33-22-11(29)8-32-36(14)22)23(37)30-7-10-3-4-15-12(5-10)34-26(40)41-15;1-9(35)27-19-16-20(27)18-21(27)17(19)26(16,18)8-30-24(37)14-5-13(32-22-11(28)7-31-34(14)22)23(36)29-6-10-2-3-15-12(4-10)33-25(38)39-15;1-28-26-18-15-19(26)17-20(26)16(18)25(15,17)8-30-23(36)13-5-12(32-21-10(27)7-31-34(13)21)22(35)29-6-9-2-3-14-11(4-9)33-24(37)38-14;2*1-25-15-18-16(25)20-17(25)19(15)26(18,20)8-29-23(35)13-5-12(31-21-10(27)7-30-33(13)21)22(34)28-6-9-2-3-14-11(4-9)32-24(36)37-14;1-13(23(35)31-7-3-2-4-8-31)28-22(34)18-10-17(29-20-15(25)12-27-32(18)20)21(33)26-11-14-5-6-19-16(9-14)30-24(36)37-19;1-36(33,34)28-9-12(10-28)7-24-20(31)16-5-15(26-18-13(22)8-25-29(16)18)19(30)23-6-11-2-3-17-14(4-11)27-21(32)35-17;;;/h3-6,8,16-21H,7,9H2,1-2H3,(H,30,37)(H,31,38)(H,34,40);2-5,7,16-21H,6,8H2,1H3,(H,29,36)(H,30,37)(H,33,38);2-5,7,15-20,28H,6,8H2,1H3,(H,29,35)(H,30,36)(H,33,37);2*2-5,7,15-20H,6,8H2,1H3,(H,28,34)(H,29,35)(H,32,36);5-6,9-10,12-13H,2-4,7-8,11H2,1H3,(H,26,33)(H,28,34)(H,30,36);2-5,8,12H,6-7,9-10H2,1H3,(H,23,30)(H,24,31)(H,27,32);3*1H4/t;;;;;13-;;;;/m.....0..../s1.
What are the key properties of 7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(dimethylcarbamoyl)cuban-1-yl]methyl]-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(methylamino)cuban-1-yl]methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;bis(3-fluoro-7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide);3-fluoro-7-N-[(1-methylsulfonylazetidin-3-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane?
7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(dimethylcarbamoyl)cuban-1-yl]methyl]-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(methylamino)cuban-1-yl]methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;bis(3-fluoro-7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide);3-fluoro-7-N-[(1-methylsulfonylazetidin-3-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane has a molecular weight of 3677.65 g/mol, XLogP of 9.32, 46 rotatable bonds, 22 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(dimethylcarbamoyl)cuban-1-yl]methyl]-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(methylamino)cuban-1-yl]methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;bis(3-fluoro-7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide);3-fluoro-7-N-[(1-methylsulfonylazetidin-3-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane is sourced from PubChem (CID 160830635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).