7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tert-butyl (1S)-1-[[5-(2,3-dihydro-1-benzofuran-5-ylmethylcarbamoyl)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;7-N-[(1S)-5-(ethylcarbamoyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-7-N-[(1S)-4-methyl-5-[[(3S)-5-methyl-2-oxohexan-3-yl]carbamoyl]-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-(2-methoxyethylcarbamoyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;2-oxopropyl (1S)-1-[[3-fluoro-5-[[4-fluoro-3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate

C217H206F11N41O34 — CID 158105064

IUPAC7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tert-butyl (1S)-1-[[5-(2,3-dihydro-1-benzofuran-5-ylmethylcarbamoyl)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;7-N-[(1S)-5-(ethylcarbamoyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-7-N-[(1S)-4-methyl-5-[[(3S)-5-methyl-2-oxohexan-3-yl]carbamoyl]-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-(2-methoxyethylcarbamoyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;2-oxopropyl (1S)-1-[[3-fluoro-5-[[4-fluoro-3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate
SMILESCC(=O)COC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)c(C(F)(F)F)c2)nc2c(F)cnn12.CC(=O)[C@H](CC(C)C)NC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)c(C(F)(F)F)c2)nc2c(F)cnn12.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3c(c2)CCO3)nc2ccnn12.CCN1C(=O)COc2ccc(CNC(=O)c3cc(C(=O)N[C@H]4CCc5c4ccc(C(C)=O)c5C)n4ncc(F)c4n3)cc21.CCNC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)nc2ccnn12.COCCNC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)nc2ccnn12.Cc1c(C(=O)OC(C)(C)C)ccc2c1CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3c(c2)CCO3)nc2ccnn12
InChIInChI=1S/C34H33F5N6O4.C32H33N5O5.C31H29FN6O5.C31H31N7O6.C30H24F5N5O5.C30H29N7O5.C29H27N5O4/c1-16(2)11-27(18(4)46)44-31(47)21-6-7-22-20(17(21)3)8-10-26(22)43-33(49)29-13-28(42-30-25(36)15-41-45(29)30)32(48)40-14-19-5-9-24(35)23(12-19)34(37,38)39;1-18-21-8-9-24(23(21)7-6-22(18)31(40)42-32(2,3)4)36-30(39)26-16-25(35-28-11-13-34-37(26)28)29(38)33-17-19-5-10-27-20(15-19)12-14-41-27;1-4-37-25-11-18(5-10-27(25)43-15-28(37)40)13-33-30(41)24-12-26(38-29(35-24)22(32)14-34-38)31(42)36-23-9-8-20-16(2)19(17(3)39)6-7-21(20)23;1-17-19-6-7-22(21(19)5-4-20(17)29(40)32-11-12-43-2)37-31(42)25-14-24(35-27-9-10-34-38(25)27)30(41)33-15-18-3-8-26-23(13-18)36-28(39)16-44-26;1-14(41)13-45-29(44)18-4-5-19-17(15(18)2)6-8-23(19)39-28(43)25-10-24(38-26-22(32)12-37-40(25)26)27(42)36-11-16-3-7-21(31)20(9-16)30(33,34)35;1-3-31-28(39)19-5-6-20-18(16(19)2)7-8-21(20)36-30(41)24-13-23(34-26-10-11-33-37(24)26)29(40)32-14-17-4-9-25-22(12-17)35-27(38)15-42-25;1-16-20(17(2)35)4-5-22-21(16)6-7-23(22)33-29(37)25-14-24(32-27-9-11-31-34(25)27)28(36)30-15-18-3-8-26-19(13-18)10-12-38-26/h5-7,9,12-13,15-16,26-27H,8,10-11,14H2,1-4H3,(H,40,48)(H,43,49)(H,44,47);5-7,10-11,13,15-16,24H,8-9,12,14,17H2,1-4H3,(H,33,38)(H,36,39);5-7,10-12,14,23H,4,8-9,13,15H2,1-3H3,(H,33,41)(H,36,42);3-5,8-10,13-14,22H,6-7,11-12,15-16H2,1-2H3,(H,32,40)(H,33,41)(H,36,39)(H,37,42);3-5,7,9-10,12,23H,6,8,11,13H2,1-2H3,(H,36,42)(H,39,43);4-6,9-13,21H,3,7-8,14-15H2,1-2H3,(H,31,39)(H,32,40)(H,35,38)(H,36,41);3-5,8-9,11,13-14,23H,6-7,10,12,15H2,1-2H3,(H,30,36)(H,33,37)/t26-,27-;24-;23-;22-;23-;21-;23-/m0000000/s1
InChIKeyFPSQAYBGKURPAL-ZUFXFWJRSA-N
MW4141.27 g/mol
LogP25.67
Rot. Bonds53

About 7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tert-butyl (1S)-1-[[5-(2,3-dihydro-1-benzofuran-5-ylmethylcarbamoyl)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;7-N-[(1S)-5-(ethylcarbamoyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-7-N-[(1S)-4-methyl-5-[[(3S)-5-methyl-2-oxohexan-3-yl]carbamoyl]-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-(2-methoxyethylcarbamoyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;2-oxopropyl (1S)-1-[[3-fluoro-5-[[4-fluoro-3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate

7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tert-butyl (1S)-1-[[5-(2,3-dihydro-1-benzofuran-5-ylmethylcarbamoyl)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;7-N-[(1S)-5-(ethylcarbamoyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-7-N-[(1S)-4-methyl-5-[[(3S)-5-methyl-2-oxohexan-3-yl]carbamoyl]-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-(2-methoxyethylcarbamoyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;2-oxopropyl (1S)-1-[[3-fluoro-5-[[4-fluoro-3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate (PubChem CID 158105064) has the molecular formula C217H206F11N41O34 and a molecular weight of 4141.27 g/mol. Its IUPAC name is 7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tert-butyl (1S)-1-[[5-(2,3-dihydro-1-benzofuran-5-ylmethylcarbamoyl)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;7-N-[(1S)-5-(ethylcarbamoyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-7-N-[(1S)-4-methyl-5-[[(3S)-5-methyl-2-oxohexan-3-yl]carbamoyl]-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-(2-methoxyethylcarbamoyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;2-oxopropyl (1S)-1-[[3-fluoro-5-[[4-fluoro-3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate.

Molecular Properties

Compound Name7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tert-butyl (1S)-1-[[5-(2,3-dihydro-1-benzofuran-5-ylmethylcarbamoyl)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;7-N-[(1S)-5-(ethylcarbamoyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-7-N-[(1S)-4-methyl-5-[[(3S)-5-methyl-2-oxohexan-3-yl]carbamoyl]-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-(2-methoxyethylcarbamoyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;2-oxopropyl (1S)-1-[[3-fluoro-5-[[4-fluoro-3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate
PubChem CID158105064
Molecular FormulaC217H206F11N41O34
Molecular Weight4141.27 g/mol
Exact Mass4138.55
IUPAC Name7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tert-butyl (1S)-1-[[5-(2,3-dihydro-1-benzofuran-5-ylmethylcarbamoyl)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;7-N-[(1S)-5-(ethylcarbamoyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-7-N-[(1S)-4-methyl-5-[[(3S)-5-methyl-2-oxohexan-3-yl]carbamoyl]-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-(2-methoxyethylcarbamoyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;2-oxopropyl (1S)-1-[[3-fluoro-5-[[4-fluoro-3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate
SMILESCC(=O)COC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)c(C(F)(F)F)c2)nc2c(F)cnn12.CC(=O)[C@H](CC(C)C)NC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)c(C(F)(F)F)c2)nc2c(F)cnn12.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3c(c2)CCO3)nc2ccnn12.CCN1C(=O)COc2ccc(CNC(=O)c3cc(C(=O)N[C@H]4CCc5c4ccc(C(C)=O)c5C)n4ncc(F)c4n3)cc21.CCNC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)nc2ccnn12.COCCNC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)nc2ccnn12.Cc1c(C(=O)OC(C)(C)C)ccc2c1CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3c(c2)CCO3)nc2ccnn12
InChIInChI=1S/C34H33F5N6O4.C32H33N5O5.C31H29FN6O5.C31H31N7O6.C30H24F5N5O5.C30H29N7O5.C29H27N5O4/c1-16(2)11-27(18(4)46)44-31(47)21-6-7-22-20(17(21)3)8-10-26(22)43-33(49)29-13-28(42-30-25(36)15-41-45(29)30)32(48)40-14-19-5-9-24(35)23(12-19)34(37,38)39;1-18-21-8-9-24(23(21)7-6-22(18)31(40)42-32(2,3)4)36-30(39)26-16-25(35-28-11-13-34-37(26)28)29(38)33-17-19-5-10-27-20(15-19)12-14-41-27;1-4-37-25-11-18(5-10-27(25)43-15-28(37)40)13-33-30(41)24-12-26(38-29(35-24)22(32)14-34-38)31(42)36-23-9-8-20-16(2)19(17(3)39)6-7-21(20)23;1-17-19-6-7-22(21(19)5-4-20(17)29(40)32-11-12-43-2)37-31(42)25-14-24(35-27-9-10-34-38(25)27)30(41)33-15-18-3-8-26-23(13-18)36-28(39)16-44-26;1-14(41)13-45-29(44)18-4-5-19-17(15(18)2)6-8-23(19)39-28(43)25-10-24(38-26-22(32)12-37-40(25)26)27(42)36-11-16-3-7-21(31)20(9-16)30(33,34)35;1-3-31-28(39)19-5-6-20-18(16(19)2)7-8-21(20)36-30(41)24-13-23(34-26-10-11-33-37(24)26)29(40)32-14-17-4-9-25-22(12-17)35-27(38)15-42-25;1-16-20(17(2)35)4-5-22-21(16)6-7-23(22)33-29(37)25-14-24(32-27-9-11-31-34(25)27)28(36)30-15-18-3-8-26-19(13-18)10-12-38-26/h5-7,9,12-13,15-16,26-27H,8,10-11,14H2,1-4H3,(H,40,48)(H,43,49)(H,44,47);5-7,10-11,13,15-16,24H,8-9,12,14,17H2,1-4H3,(H,33,38)(H,36,39);5-7,10-12,14,23H,4,8-9,13,15H2,1-3H3,(H,33,41)(H,36,42);3-5,8-10,13-14,22H,6-7,11-12,15-16H2,1-2H3,(H,32,40)(H,33,41)(H,36,39)(H,37,42);3-5,7,9-10,12,23H,6,8,11,13H2,1-2H3,(H,36,42)(H,39,43);4-6,9-13,21H,3,7-8,14-15H2,1-2H3,(H,31,39)(H,32,40)(H,35,38)(H,36,41);3-5,8-9,11,13-14,23H,6-7,10,12,15H2,1-2H3,(H,30,36)(H,33,37)/t26-,27-;24-;23-;22-;23-;21-;23-/m0000000/s1
InChIKeyFPSQAYBGKURPAL-ZUFXFWJRSA-N
XLogP25.67
TPSA960.80 Ų
H-Bond Donors19
H-Bond Acceptors55
Rotatable Bonds53
Heavy Atoms303
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004141.27
LogP ≤ 525.67
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1055

Analyze 7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tert-butyl (1S)-1-[[5-(2,3-dihydro-1-benzofuran-5-ylmethylcarbamoyl)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;7-N-[(1S)-5-(ethylcarbamoyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-7-N-[(1S)-4-methyl-5-[[(3S)-5-methyl-2-oxohexan-3-yl]carbamoyl]-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-(2-methoxyethylcarbamoyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;2-oxopropyl (1S)-1-[[3-fluoro-5-[[4-fluoro-3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tert-butyl (1S)-1-[[5-(2,3-dihydro-1-benzofuran-5-ylmethylcarbamoyl)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;7-N-[(1S)-5-(ethylcarbamoyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-7-N-[(1S)-4-methyl-5-[[(3S)-5-methyl-2-oxohexan-3-yl]carbamoyl]-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-(2-methoxyethylcarbamoyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;2-oxopropyl (1S)-1-[[3-fluoro-5-[[4-fluoro-3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate?
The IUPAC name of 7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tert-butyl (1S)-1-[[5-(2,3-dihydro-1-benzofuran-5-ylmethylcarbamoyl)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;7-N-[(1S)-5-(ethylcarbamoyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-7-N-[(1S)-4-methyl-5-[[(3S)-5-methyl-2-oxohexan-3-yl]carbamoyl]-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-(2-methoxyethylcarbamoyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;2-oxopropyl (1S)-1-[[3-fluoro-5-[[4-fluoro-3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate (CID 158105064) is 7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tert-butyl (1S)-1-[[5-(2,3-dihydro-1-benzofuran-5-ylmethylcarbamoyl)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;7-N-[(1S)-5-(ethylcarbamoyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-7-N-[(1S)-4-methyl-5-[[(3S)-5-methyl-2-oxohexan-3-yl]carbamoyl]-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-(2-methoxyethylcarbamoyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;2-oxopropyl (1S)-1-[[3-fluoro-5-[[4-fluoro-3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate.
What is the SMILES notation for 7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tert-butyl (1S)-1-[[5-(2,3-dihydro-1-benzofuran-5-ylmethylcarbamoyl)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;7-N-[(1S)-5-(ethylcarbamoyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-7-N-[(1S)-4-methyl-5-[[(3S)-5-methyl-2-oxohexan-3-yl]carbamoyl]-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-(2-methoxyethylcarbamoyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;2-oxopropyl (1S)-1-[[3-fluoro-5-[[4-fluoro-3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate?
The canonical SMILES for 7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tert-butyl (1S)-1-[[5-(2,3-dihydro-1-benzofuran-5-ylmethylcarbamoyl)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;7-N-[(1S)-5-(ethylcarbamoyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-7-N-[(1S)-4-methyl-5-[[(3S)-5-methyl-2-oxohexan-3-yl]carbamoyl]-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-(2-methoxyethylcarbamoyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;2-oxopropyl (1S)-1-[[3-fluoro-5-[[4-fluoro-3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate is CC(=O)COC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)c(C(F)(F)F)c2)nc2c(F)cnn12.CC(=O)[C@H](CC(C)C)NC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)c(C(F)(F)F)c2)nc2c(F)cnn12.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3c(c2)CCO3)nc2ccnn12.CCN1C(=O)COc2ccc(CNC(=O)c3cc(C(=O)N[C@H]4CCc5c4ccc(C(C)=O)c5C)n4ncc(F)c4n3)cc21.CCNC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)nc2ccnn12.COCCNC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)nc2ccnn12.Cc1c(C(=O)OC(C)(C)C)ccc2c1CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3c(c2)CCO3)nc2ccnn12.
What is the InChIKey of 7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tert-butyl (1S)-1-[[5-(2,3-dihydro-1-benzofuran-5-ylmethylcarbamoyl)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;7-N-[(1S)-5-(ethylcarbamoyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-7-N-[(1S)-4-methyl-5-[[(3S)-5-methyl-2-oxohexan-3-yl]carbamoyl]-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-(2-methoxyethylcarbamoyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;2-oxopropyl (1S)-1-[[3-fluoro-5-[[4-fluoro-3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate?
The InChIKey is FPSQAYBGKURPAL-ZUFXFWJRSA-N. The full InChI is InChI=1S/C34H33F5N6O4.C32H33N5O5.C31H29FN6O5.C31H31N7O6.C30H24F5N5O5.C30H29N7O5.C29H27N5O4/c1-16(2)11-27(18(4)46)44-31(47)21-6-7-22-20(17(21)3)8-10-26(22)43-33(49)29-13-28(42-30-25(36)15-41-45(29)30)32(48)40-14-19-5-9-24(35)23(12-19)34(37,38)39;1-18-21-8-9-24(23(21)7-6-22(18)31(40)42-32(2,3)4)36-30(39)26-16-25(35-28-11-13-34-37(26)28)29(38)33-17-19-5-10-27-20(15-19)12-14-41-27;1-4-37-25-11-18(5-10-27(25)43-15-28(37)40)13-33-30(41)24-12-26(38-29(35-24)22(32)14-34-38)31(42)36-23-9-8-20-16(2)19(17(3)39)6-7-21(20)23;1-17-19-6-7-22(21(19)5-4-20(17)29(40)32-11-12-43-2)37-31(42)25-14-24(35-27-9-10-34-38(25)27)30(41)33-15-18-3-8-26-23(13-18)36-28(39)16-44-26;1-14(41)13-45-29(44)18-4-5-19-17(15(18)2)6-8-23(19)39-28(43)25-10-24(38-26-22(32)12-37-40(25)26)27(42)36-11-16-3-7-21(31)20(9-16)30(33,34)35;1-3-31-28(39)19-5-6-20-18(16(19)2)7-8-21(20)36-30(41)24-13-23(34-26-10-11-33-37(24)26)29(40)32-14-17-4-9-25-22(12-17)35-27(38)15-42-25;1-16-20(17(2)35)4-5-22-21(16)6-7-23(22)33-29(37)25-14-24(32-27-9-11-31-34(25)27)28(36)30-15-18-3-8-26-19(13-18)10-12-38-26/h5-7,9,12-13,15-16,26-27H,8,10-11,14H2,1-4H3,(H,40,48)(H,43,49)(H,44,47);5-7,10-11,13,15-16,24H,8-9,12,14,17H2,1-4H3,(H,33,38)(H,36,39);5-7,10-12,14,23H,4,8-9,13,15H2,1-3H3,(H,33,41)(H,36,42);3-5,8-10,13-14,22H,6-7,11-12,15-16H2,1-2H3,(H,32,40)(H,33,41)(H,36,39)(H,37,42);3-5,7,9-10,12,23H,6,8,11,13H2,1-2H3,(H,36,42)(H,39,43);4-6,9-13,21H,3,7-8,14-15H2,1-2H3,(H,31,39)(H,32,40)(H,35,38)(H,36,41);3-5,8-9,11,13-14,23H,6-7,10,12,15H2,1-2H3,(H,30,36)(H,33,37)/t26-,27-;24-;23-;22-;23-;21-;23-/m0000000/s1.
What are the key properties of 7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tert-butyl (1S)-1-[[5-(2,3-dihydro-1-benzofuran-5-ylmethylcarbamoyl)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;7-N-[(1S)-5-(ethylcarbamoyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-7-N-[(1S)-4-methyl-5-[[(3S)-5-methyl-2-oxohexan-3-yl]carbamoyl]-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-(2-methoxyethylcarbamoyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;2-oxopropyl (1S)-1-[[3-fluoro-5-[[4-fluoro-3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate?
7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tert-butyl (1S)-1-[[5-(2,3-dihydro-1-benzofuran-5-ylmethylcarbamoyl)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;7-N-[(1S)-5-(ethylcarbamoyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-7-N-[(1S)-4-methyl-5-[[(3S)-5-methyl-2-oxohexan-3-yl]carbamoyl]-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-(2-methoxyethylcarbamoyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;2-oxopropyl (1S)-1-[[3-fluoro-5-[[4-fluoro-3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate has a molecular weight of 4141.27 g/mol, XLogP of 25.67, 53 rotatable bonds, 19 hydrogen bond donors, and 55 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-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tert-butyl (1S)-1-[[5-(2,3-dihydro-1-benzofuran-5-ylmethylcarbamoyl)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;7-N-[(1S)-5-(ethylcarbamoyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-7-N-[(1S)-4-methyl-5-[[(3S)-5-methyl-2-oxohexan-3-yl]carbamoyl]-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-(2-methoxyethylcarbamoyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;2-oxopropyl (1S)-1-[[3-fluoro-5-[[4-fluoro-3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate is sourced from PubChem (CID 158105064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).