7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyrazolo[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-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tert-butyl (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)-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-7-N-[(1S)-5-(1-hydroxyethenyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(1S)-5-(1-hydroxyethenyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-(1-hydroxyethenyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

C203H181F14N43O27 — CID 157345855

IUPAC7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyrazolo[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-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tert-butyl (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)-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-7-N-[(1S)-5-(1-hydroxyethenyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(1S)-5-(1-hydroxyethenyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-(1-hydroxyethenyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESC=C(O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3ncnn3c2)nc2ccnn12.C=C(O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3oc(=O)[nH]c3c2)nc2c(F)cnn12.C=C(O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3oc(=O)n(C)c3c2)nc2c(F)cnn12.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2cccc(N3CCCC3=O)c2)nc2c(F)cnn12.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccnc(N3CCOCC3)c2)nc2c(F)cnn12.Cc1c(C(=O)OC(C)(C)C)ccc2c1CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)c(C(F)(F)F)c2)nc2c(F)cnn12.Cc1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)c(C(F)(F)F)c2)nc2c(F)cnn12
InChIInChI=1S/C31H28F5N5O4.C31H29FN6O4.C30H30FN7O4.C29H25FN6O5.C28H23FN6O5.C27H22F5N5O2.C27H24N8O3/c1-15-17-8-10-23(19(17)7-6-18(15)29(44)45-30(2,3)4)40-28(43)25-12-24(39-26-22(33)14-38-41(25)26)27(42)37-13-16-5-9-21(32)20(11-16)31(34,35)36;1-17-21(18(2)39)8-9-23-22(17)10-11-25(23)36-31(42)27-14-26(35-29-24(32)16-34-38(27)29)30(41)33-15-19-5-3-6-20(13-19)37-12-4-7-28(37)40;1-17-20(18(2)39)3-4-22-21(17)5-6-24(22)36-30(41)26-14-25(35-28-23(31)16-34-38(26)28)29(40)33-15-19-7-8-32-27(13-19)37-9-11-42-12-10-37;1-14-17(15(2)37)5-6-19-18(14)7-8-21(19)34-28(39)24-11-22(33-26-20(30)13-32-36(24)26)27(38)31-12-16-4-9-25-23(10-16)35(3)29(40)41-25;1-13-16(14(2)36)4-5-18-17(13)6-7-20(18)33-27(38)23-10-22(32-25-19(29)12-31-35(23)25)26(37)30-11-15-3-8-24-21(9-15)34-28(39)40-24;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;1-15-18(16(2)36)4-5-20-19(15)6-7-21(20)33-27(38)23-11-22(32-25-9-10-30-35(23)25)26(37)28-12-17-3-8-24-29-14-31-34(24)13-17/h5-7,9,11-12,14,23H,8,10,13H2,1-4H3,(H,37,42)(H,40,43);3,5-6,8-9,13-14,16,25H,4,7,10-12,15H2,1-2H3,(H,33,41)(H,36,42);3-4,7-8,13-14,16,24H,5-6,9-12,15H2,1-2H3,(H,33,40)(H,36,41);4-6,9-11,13,21,37H,2,7-8,12H2,1,3H3,(H,31,38)(H,34,39);3-5,8-10,12,20,36H,2,6-7,11H2,1H3,(H,30,37)(H,33,38)(H,34,39);3-5,7,9-10,12,21H,6,8,11H2,1-2H3,(H,33,38)(H,36,39);3-5,8-11,13-14,21,36H,2,6-7,12H2,1H3,(H,28,37)(H,33,38)/t23-;25-;24-;21-;20-;2*21-/m0000000/s1
InChIKeyBGYPLKOSNYUILH-PYKQVXEYSA-N
MW3920.93 g/mol
LogP27.38
Rot. Bonds43

About 7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyrazolo[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-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tert-butyl (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)-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-7-N-[(1S)-5-(1-hydroxyethenyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(1S)-5-(1-hydroxyethenyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-(1-hydroxyethenyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)pyrazolo[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-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyrazolo[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-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tert-butyl (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)-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-7-N-[(1S)-5-(1-hydroxyethenyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(1S)-5-(1-hydroxyethenyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-(1-hydroxyethenyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (PubChem CID 157345855) has the molecular formula C203H181F14N43O27 and a molecular weight of 3920.93 g/mol. Its IUPAC name is 7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyrazolo[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-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tert-butyl (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)-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-7-N-[(1S)-5-(1-hydroxyethenyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(1S)-5-(1-hydroxyethenyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-(1-hydroxyethenyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

Molecular Properties

Compound Name7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyrazolo[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-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tert-butyl (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)-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-7-N-[(1S)-5-(1-hydroxyethenyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(1S)-5-(1-hydroxyethenyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-(1-hydroxyethenyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
PubChem CID157345855
Molecular FormulaC203H181F14N43O27
Molecular Weight3920.93 g/mol
Exact Mass3918.39
IUPAC Name7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyrazolo[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-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tert-butyl (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)-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-7-N-[(1S)-5-(1-hydroxyethenyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(1S)-5-(1-hydroxyethenyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-(1-hydroxyethenyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESC=C(O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3ncnn3c2)nc2ccnn12.C=C(O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3oc(=O)[nH]c3c2)nc2c(F)cnn12.C=C(O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3oc(=O)n(C)c3c2)nc2c(F)cnn12.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2cccc(N3CCCC3=O)c2)nc2c(F)cnn12.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccnc(N3CCOCC3)c2)nc2c(F)cnn12.Cc1c(C(=O)OC(C)(C)C)ccc2c1CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)c(C(F)(F)F)c2)nc2c(F)cnn12.Cc1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)c(C(F)(F)F)c2)nc2c(F)cnn12
InChIInChI=1S/C31H28F5N5O4.C31H29FN6O4.C30H30FN7O4.C29H25FN6O5.C28H23FN6O5.C27H22F5N5O2.C27H24N8O3/c1-15-17-8-10-23(19(17)7-6-18(15)29(44)45-30(2,3)4)40-28(43)25-12-24(39-26-22(33)14-38-41(25)26)27(42)37-13-16-5-9-21(32)20(11-16)31(34,35)36;1-17-21(18(2)39)8-9-23-22(17)10-11-25(23)36-31(42)27-14-26(35-29-24(32)16-34-38(27)29)30(41)33-15-19-5-3-6-20(13-19)37-12-4-7-28(37)40;1-17-20(18(2)39)3-4-22-21(17)5-6-24(22)36-30(41)26-14-25(35-28-23(31)16-34-38(26)28)29(40)33-15-19-7-8-32-27(13-19)37-9-11-42-12-10-37;1-14-17(15(2)37)5-6-19-18(14)7-8-21(19)34-28(39)24-11-22(33-26-20(30)13-32-36(24)26)27(38)31-12-16-4-9-25-23(10-16)35(3)29(40)41-25;1-13-16(14(2)36)4-5-18-17(13)6-7-20(18)33-27(38)23-10-22(32-25-19(29)12-31-35(23)25)26(37)30-11-15-3-8-24-21(9-15)34-28(39)40-24;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;1-15-18(16(2)36)4-5-20-19(15)6-7-21(20)33-27(38)23-11-22(32-25-9-10-30-35(23)25)26(37)28-12-17-3-8-24-29-14-31-34(24)13-17/h5-7,9,11-12,14,23H,8,10,13H2,1-4H3,(H,37,42)(H,40,43);3,5-6,8-9,13-14,16,25H,4,7,10-12,15H2,1-2H3,(H,33,41)(H,36,42);3-4,7-8,13-14,16,24H,5-6,9-12,15H2,1-2H3,(H,33,40)(H,36,41);4-6,9-11,13,21,37H,2,7-8,12H2,1,3H3,(H,31,38)(H,34,39);3-5,8-10,12,20,36H,2,6-7,11H2,1H3,(H,30,37)(H,33,38)(H,34,39);3-5,7,9-10,12,21H,6,8,11H2,1-2H3,(H,33,38)(H,36,39);3-5,8-11,13-14,21,36H,2,6-7,12H2,1H3,(H,28,37)(H,33,38)/t23-;25-;24-;21-;20-;2*21-/m0000000/s1
InChIKeyBGYPLKOSNYUILH-PYKQVXEYSA-N
XLogP27.38
TPSA896.86 Ų
H-Bond Donors18
H-Bond Acceptors54
Rotatable Bonds43
Heavy Atoms287
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003920.93
LogP ≤ 527.38
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1054

Analyze 7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyrazolo[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-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tert-butyl (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)-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-7-N-[(1S)-5-(1-hydroxyethenyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(1S)-5-(1-hydroxyethenyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-(1-hydroxyethenyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide 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]-3-fluoro-5-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyrazolo[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-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tert-butyl (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)-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-7-N-[(1S)-5-(1-hydroxyethenyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(1S)-5-(1-hydroxyethenyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-(1-hydroxyethenyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The IUPAC name of 7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyrazolo[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-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tert-butyl (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)-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-7-N-[(1S)-5-(1-hydroxyethenyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(1S)-5-(1-hydroxyethenyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-(1-hydroxyethenyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (CID 157345855) is 7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyrazolo[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-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tert-butyl (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)-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-7-N-[(1S)-5-(1-hydroxyethenyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(1S)-5-(1-hydroxyethenyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-(1-hydroxyethenyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.
What is the SMILES notation for 7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyrazolo[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-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tert-butyl (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)-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-7-N-[(1S)-5-(1-hydroxyethenyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(1S)-5-(1-hydroxyethenyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-(1-hydroxyethenyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The canonical SMILES for 7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyrazolo[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-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tert-butyl (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)-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-7-N-[(1S)-5-(1-hydroxyethenyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(1S)-5-(1-hydroxyethenyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-(1-hydroxyethenyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is C=C(O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3ncnn3c2)nc2ccnn12.C=C(O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3oc(=O)[nH]c3c2)nc2c(F)cnn12.C=C(O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3oc(=O)n(C)c3c2)nc2c(F)cnn12.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2cccc(N3CCCC3=O)c2)nc2c(F)cnn12.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccnc(N3CCOCC3)c2)nc2c(F)cnn12.Cc1c(C(=O)OC(C)(C)C)ccc2c1CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)c(C(F)(F)F)c2)nc2c(F)cnn12.Cc1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)c(C(F)(F)F)c2)nc2c(F)cnn12.
What is the InChIKey of 7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyrazolo[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-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tert-butyl (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)-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-7-N-[(1S)-5-(1-hydroxyethenyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(1S)-5-(1-hydroxyethenyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-(1-hydroxyethenyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The InChIKey is BGYPLKOSNYUILH-PYKQVXEYSA-N. The full InChI is InChI=1S/C31H28F5N5O4.C31H29FN6O4.C30H30FN7O4.C29H25FN6O5.C28H23FN6O5.C27H22F5N5O2.C27H24N8O3/c1-15-17-8-10-23(19(17)7-6-18(15)29(44)45-30(2,3)4)40-28(43)25-12-24(39-26-22(33)14-38-41(25)26)27(42)37-13-16-5-9-21(32)20(11-16)31(34,35)36;1-17-21(18(2)39)8-9-23-22(17)10-11-25(23)36-31(42)27-14-26(35-29-24(32)16-34-38(27)29)30(41)33-15-19-5-3-6-20(13-19)37-12-4-7-28(37)40;1-17-20(18(2)39)3-4-22-21(17)5-6-24(22)36-30(41)26-14-25(35-28-23(31)16-34-38(26)28)29(40)33-15-19-7-8-32-27(13-19)37-9-11-42-12-10-37;1-14-17(15(2)37)5-6-19-18(14)7-8-21(19)34-28(39)24-11-22(33-26-20(30)13-32-36(24)26)27(38)31-12-16-4-9-25-23(10-16)35(3)29(40)41-25;1-13-16(14(2)36)4-5-18-17(13)6-7-20(18)33-27(38)23-10-22(32-25-19(29)12-31-35(23)25)26(37)30-11-15-3-8-24-21(9-15)34-28(39)40-24;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;1-15-18(16(2)36)4-5-20-19(15)6-7-21(20)33-27(38)23-11-22(32-25-9-10-30-35(23)25)26(37)28-12-17-3-8-24-29-14-31-34(24)13-17/h5-7,9,11-12,14,23H,8,10,13H2,1-4H3,(H,37,42)(H,40,43);3,5-6,8-9,13-14,16,25H,4,7,10-12,15H2,1-2H3,(H,33,41)(H,36,42);3-4,7-8,13-14,16,24H,5-6,9-12,15H2,1-2H3,(H,33,40)(H,36,41);4-6,9-11,13,21,37H,2,7-8,12H2,1,3H3,(H,31,38)(H,34,39);3-5,8-10,12,20,36H,2,6-7,11H2,1H3,(H,30,37)(H,33,38)(H,34,39);3-5,7,9-10,12,21H,6,8,11H2,1-2H3,(H,33,38)(H,36,39);3-5,8-11,13-14,21,36H,2,6-7,12H2,1H3,(H,28,37)(H,33,38)/t23-;25-;24-;21-;20-;2*21-/m0000000/s1.
What are the key properties of 7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyrazolo[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-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tert-butyl (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)-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-7-N-[(1S)-5-(1-hydroxyethenyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(1S)-5-(1-hydroxyethenyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-(1-hydroxyethenyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)pyrazolo[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-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyrazolo[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-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tert-butyl (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)-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-7-N-[(1S)-5-(1-hydroxyethenyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(1S)-5-(1-hydroxyethenyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-(1-hydroxyethenyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide has a molecular weight of 3920.93 g/mol, XLogP of 27.38, 43 rotatable bonds, 18 hydrogen bond donors, and 54 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]-3-fluoro-5-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyrazolo[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-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tert-butyl (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)-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-7-N-[(1S)-5-(1-hydroxyethenyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(1S)-5-(1-hydroxyethenyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-(1-hydroxyethenyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is sourced from PubChem (CID 157345855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).