7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[3-(difluoromethyl)-4-fluorophenyl]methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[(4-fluoro-3-morpholin-4-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(1H-indol-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane

C199H175F16N41O25 — CID 159896348

IUPAC7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[3-(difluoromethyl)-4-fluorophenyl]methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[(4-fluoro-3-morpholin-4-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(1H-indol-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane
SMILESC.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)c(C(F)F)c2)nc2c(F)cnn12.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)c(N3CCOCC3)c2)nc2c(F)cnn12.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3[nH]ccc3c2)nc2ccnn12.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3c(c2)CC(C)(C)O3)nc2c(F)cnn12.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3c(c2)OC(F)(F)O3)nc2c(F)cnn12.Cc1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)c(C(F)(F)F)c2)nc2c(F)cnn12.O=C1COc2ccc(CNC(=O)c3cc(C(=O)NCc4ccc5ncnn5c4)n4ncc(F)c4n3)cc2N1
InChIInChI=1S/C31H30F2N6O4.C31H30FN5O4.C29H26N6O3.C28H23F4N5O3.C28H22F3N5O5.C27H22F5N5O2.C24H18FN9O4.CH4/c1-17-20(18(2)40)4-5-22-21(17)6-8-25(22)37-31(42)28-14-26(36-29-24(33)16-35-39(28)29)30(41)34-15-19-3-7-23(32)27(13-19)38-9-11-43-12-10-38;1-16-20(17(2)38)6-7-22-21(16)8-9-24(22)36-30(40)26-12-25(35-28-23(32)15-34-37(26)28)29(39)33-14-18-5-10-27-19(11-18)13-31(3,4)41-27;1-16-20(17(2)36)4-5-22-21(16)6-8-24(22)34-29(38)26-14-25(33-27-10-12-32-35(26)27)28(37)31-15-18-3-7-23-19(13-18)9-11-30-23;1-13-16(14(2)38)4-5-18-17(13)6-8-22(18)36-28(40)24-10-23(35-26-21(30)12-34-37(24)26)27(39)33-11-15-3-7-20(29)19(9-15)25(31)32;1-13-16(14(2)37)4-5-18-17(13)6-7-20(18)35-27(39)22-10-21(34-25-19(29)12-33-36(22)25)26(38)32-11-15-3-8-23-24(9-15)41-28(30,31)40-23;1-13-3-5-17-16(14(13)2)6-8-21(17)36-26(39)23-10-22(35-24-20(29)12-34-37(23)24)25(38)33-11-15-4-7-19(28)18(9-15)27(30,31)32;25-15-9-29-34-18(24(37)27-8-14-2-4-20-28-12-30-33(20)10-14)6-17(32-22(15)34)23(36)26-7-13-1-3-19-16(5-13)31-21(35)11-38-19;/h3-5,7,13-14,16,25H,6,8-12,15H2,1-2H3,(H,34,41)(H,37,42);5-7,10-12,15,24H,8-9,13-14H2,1-4H3,(H,33,39)(H,36,40);3-5,7,9-14,24,30H,6,8,15H2,1-2H3,(H,31,37)(H,34,38);3-5,7,9-10,12,22,25H,6,8,11H2,1-2H3,(H,33,39)(H,36,40);3-5,8-10,12,20H,6-7,11H2,1-2H3,(H,32,38)(H,35,39);3-5,7,9-10,12,21H,6,8,11H2,1-2H3,(H,33,38)(H,36,39);1-6,9-10,12H,7-8,11H2,(H,26,36)(H,27,37)(H,31,35);1H4/t25-;2*24-;22-;20-;21-;;/m000000../s1
InChIKeyNVJVEASLRYKLGI-KHHVZXIFSA-N
MW3844.82 g/mol
LogP27.79
Rot. Bonds43

About 7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[3-(difluoromethyl)-4-fluorophenyl]methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[(4-fluoro-3-morpholin-4-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(1H-indol-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane

7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[3-(difluoromethyl)-4-fluorophenyl]methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[(4-fluoro-3-morpholin-4-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(1H-indol-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane (PubChem CID 159896348) has the molecular formula C199H175F16N41O25 and a molecular weight of 3844.82 g/mol. Its IUPAC name is 7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[3-(difluoromethyl)-4-fluorophenyl]methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[(4-fluoro-3-morpholin-4-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(1H-indol-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane.

Molecular Properties

Compound Name7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[3-(difluoromethyl)-4-fluorophenyl]methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[(4-fluoro-3-morpholin-4-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(1H-indol-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane
PubChem CID159896348
Molecular FormulaC199H175F16N41O25
Molecular Weight3844.82 g/mol
Exact Mass3842.34
IUPAC Name7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[3-(difluoromethyl)-4-fluorophenyl]methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[(4-fluoro-3-morpholin-4-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(1H-indol-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane
SMILESC.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)c(C(F)F)c2)nc2c(F)cnn12.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)c(N3CCOCC3)c2)nc2c(F)cnn12.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3[nH]ccc3c2)nc2ccnn12.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3c(c2)CC(C)(C)O3)nc2c(F)cnn12.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3c(c2)OC(F)(F)O3)nc2c(F)cnn12.Cc1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)c(C(F)(F)F)c2)nc2c(F)cnn12.O=C1COc2ccc(CNC(=O)c3cc(C(=O)NCc4ccc5ncnn5c4)n4ncc(F)c4n3)cc2N1
InChIInChI=1S/C31H30F2N6O4.C31H30FN5O4.C29H26N6O3.C28H23F4N5O3.C28H22F3N5O5.C27H22F5N5O2.C24H18FN9O4.CH4/c1-17-20(18(2)40)4-5-22-21(17)6-8-25(22)37-31(42)28-14-26(36-29-24(33)16-35-39(28)29)30(41)34-15-19-3-7-23(32)27(13-19)38-9-11-43-12-10-38;1-16-20(17(2)38)6-7-22-21(16)8-9-24(22)36-30(40)26-12-25(35-28-23(32)15-34-37(26)28)29(39)33-14-18-5-10-27-19(11-18)13-31(3,4)41-27;1-16-20(17(2)36)4-5-22-21(16)6-8-24(22)34-29(38)26-14-25(33-27-10-12-32-35(26)27)28(37)31-15-18-3-7-23-19(13-18)9-11-30-23;1-13-16(14(2)38)4-5-18-17(13)6-8-22(18)36-28(40)24-10-23(35-26-21(30)12-34-37(24)26)27(39)33-11-15-3-7-20(29)19(9-15)25(31)32;1-13-16(14(2)37)4-5-18-17(13)6-7-20(18)35-27(39)22-10-21(34-25-19(29)12-33-36(22)25)26(38)32-11-15-3-8-23-24(9-15)41-28(30,31)40-23;1-13-3-5-17-16(14(13)2)6-8-21(17)36-26(39)23-10-22(35-24-20(29)12-34-37(23)24)25(38)33-11-15-4-7-19(28)18(9-15)27(30,31)32;25-15-9-29-34-18(24(37)27-8-14-2-4-20-28-12-30-33(20)10-14)6-17(32-22(15)34)23(36)26-7-13-1-3-19-16(5-13)31-21(35)11-38-19;/h3-5,7,13-14,16,25H,6,8-12,15H2,1-2H3,(H,34,41)(H,37,42);5-7,10-12,15,24H,8-9,13-14H2,1-4H3,(H,33,39)(H,36,40);3-5,7,9-14,24,30H,6,8,15H2,1-2H3,(H,31,37)(H,34,38);3-5,7,9-10,12,22,25H,6,8,11H2,1-2H3,(H,33,39)(H,36,40);3-5,8-10,12,20H,6-7,11H2,1-2H3,(H,32,38)(H,35,39);3-5,7,9-10,12,21H,6,8,11H2,1-2H3,(H,33,38)(H,36,39);1-6,9-10,12H,7-8,11H2,(H,26,36)(H,27,37)(H,31,35);1H4/t25-;2*24-;22-;20-;21-;;/m000000../s1
InChIKeyNVJVEASLRYKLGI-KHHVZXIFSA-N
XLogP27.79
TPSA828.55 Ų
H-Bond Donors16
H-Bond Acceptors50
Rotatable Bonds43
Heavy Atoms281
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003844.82
LogP ≤ 527.79
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1050

Analyze 7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[3-(difluoromethyl)-4-fluorophenyl]methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[(4-fluoro-3-morpholin-4-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(1H-indol-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane with MolForge

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What is the IUPAC name of 7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[3-(difluoromethyl)-4-fluorophenyl]methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[(4-fluoro-3-morpholin-4-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(1H-indol-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane?
The IUPAC name of 7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[3-(difluoromethyl)-4-fluorophenyl]methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[(4-fluoro-3-morpholin-4-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(1H-indol-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane (CID 159896348) is 7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[3-(difluoromethyl)-4-fluorophenyl]methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[(4-fluoro-3-morpholin-4-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(1H-indol-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane.
What is the SMILES notation for 7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[3-(difluoromethyl)-4-fluorophenyl]methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[(4-fluoro-3-morpholin-4-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(1H-indol-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane?
The canonical SMILES for 7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[3-(difluoromethyl)-4-fluorophenyl]methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[(4-fluoro-3-morpholin-4-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(1H-indol-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane is C.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)c(C(F)F)c2)nc2c(F)cnn12.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)c(N3CCOCC3)c2)nc2c(F)cnn12.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3[nH]ccc3c2)nc2ccnn12.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3c(c2)CC(C)(C)O3)nc2c(F)cnn12.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3c(c2)OC(F)(F)O3)nc2c(F)cnn12.Cc1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)c(C(F)(F)F)c2)nc2c(F)cnn12.O=C1COc2ccc(CNC(=O)c3cc(C(=O)NCc4ccc5ncnn5c4)n4ncc(F)c4n3)cc2N1.
What is the InChIKey of 7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[3-(difluoromethyl)-4-fluorophenyl]methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[(4-fluoro-3-morpholin-4-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(1H-indol-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane?
The InChIKey is NVJVEASLRYKLGI-KHHVZXIFSA-N. The full InChI is InChI=1S/C31H30F2N6O4.C31H30FN5O4.C29H26N6O3.C28H23F4N5O3.C28H22F3N5O5.C27H22F5N5O2.C24H18FN9O4.CH4/c1-17-20(18(2)40)4-5-22-21(17)6-8-25(22)37-31(42)28-14-26(36-29-24(33)16-35-39(28)29)30(41)34-15-19-3-7-23(32)27(13-19)38-9-11-43-12-10-38;1-16-20(17(2)38)6-7-22-21(16)8-9-24(22)36-30(40)26-12-25(35-28-23(32)15-34-37(26)28)29(39)33-14-18-5-10-27-19(11-18)13-31(3,4)41-27;1-16-20(17(2)36)4-5-22-21(16)6-8-24(22)34-29(38)26-14-25(33-27-10-12-32-35(26)27)28(37)31-15-18-3-7-23-19(13-18)9-11-30-23;1-13-16(14(2)38)4-5-18-17(13)6-8-22(18)36-28(40)24-10-23(35-26-21(30)12-34-37(24)26)27(39)33-11-15-3-7-20(29)19(9-15)25(31)32;1-13-16(14(2)37)4-5-18-17(13)6-7-20(18)35-27(39)22-10-21(34-25-19(29)12-33-36(22)25)26(38)32-11-15-3-8-23-24(9-15)41-28(30,31)40-23;1-13-3-5-17-16(14(13)2)6-8-21(17)36-26(39)23-10-22(35-24-20(29)12-34-37(23)24)25(38)33-11-15-4-7-19(28)18(9-15)27(30,31)32;25-15-9-29-34-18(24(37)27-8-14-2-4-20-28-12-30-33(20)10-14)6-17(32-22(15)34)23(36)26-7-13-1-3-19-16(5-13)31-21(35)11-38-19;/h3-5,7,13-14,16,25H,6,8-12,15H2,1-2H3,(H,34,41)(H,37,42);5-7,10-12,15,24H,8-9,13-14H2,1-4H3,(H,33,39)(H,36,40);3-5,7,9-14,24,30H,6,8,15H2,1-2H3,(H,31,37)(H,34,38);3-5,7,9-10,12,22,25H,6,8,11H2,1-2H3,(H,33,39)(H,36,40);3-5,8-10,12,20H,6-7,11H2,1-2H3,(H,32,38)(H,35,39);3-5,7,9-10,12,21H,6,8,11H2,1-2H3,(H,33,38)(H,36,39);1-6,9-10,12H,7-8,11H2,(H,26,36)(H,27,37)(H,31,35);1H4/t25-;2*24-;22-;20-;21-;;/m000000../s1.
What are the key properties of 7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[3-(difluoromethyl)-4-fluorophenyl]methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[(4-fluoro-3-morpholin-4-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(1H-indol-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane?
7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[3-(difluoromethyl)-4-fluorophenyl]methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[(4-fluoro-3-morpholin-4-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(1H-indol-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane has a molecular weight of 3844.82 g/mol, XLogP of 27.79, 43 rotatable bonds, 16 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[3-(difluoromethyl)-4-fluorophenyl]methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[(4-fluoro-3-morpholin-4-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(1H-indol-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane is sourced from PubChem (CID 159896348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).