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-[(2,2-dimethyl-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]-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-chromen-6-yl)methyl]-7-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

C170H147F12N35O23 — CID 157337455

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-[(2,2-dimethyl-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]-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-chromen-6-yl)methyl]-7-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESCC(=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)OC(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)cc2C1
InChIInChI=1S/C31H30F2N6O4.C30H28FN5O5.C29H26N6O3.C28H22F3N5O5.C27H22F5N5O2.C25H19FN8O4/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;1-15-18(16(2)37)6-7-20-19(15)8-9-22(20)35-29(39)24-12-23(34-27-21(31)14-33-36(24)27)28(38)32-13-17-5-10-25-26(11-17)41-30(3,4)40-25;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)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;26-18-10-30-34-20(25(37)28-9-15-2-4-22-29-13-31-33(22)11-15)7-19(32-23(18)34)24(36)27-8-14-1-3-21-16(5-14)6-17(35)12-38-21/h3-5,7,13-14,16,25H,6,8-12,15H2,1-2H3,(H,34,41)(H,37,42);5-7,10-12,14,22H,8-9,13H2,1-4H3,(H,32,38)(H,35,39);3-5,7,9-14,24,30H,6,8,15H2,1-2H3,(H,31,37)(H,34,38);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);1-5,7,10-11,13H,6,8-9,12H2,(H,27,36)(H,28,37)/t25-;22-;24-;20-;21-;/m00000./s1
InChIKeyBFZRFYPSZXFVNU-CSTPQSDFSA-N
MW3276.24 g/mol
LogP22.32
Rot. Bonds36

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-[(2,2-dimethyl-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]-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-chromen-6-yl)methyl]-7-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]-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-[(2,2-dimethyl-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]-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-chromen-6-yl)methyl]-7-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (PubChem CID 157337455) has the molecular formula C170H147F12N35O23 and a molecular weight of 3276.24 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-[(2,2-dimethyl-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]-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-chromen-6-yl)methyl]-7-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]-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-[(2,2-dimethyl-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]-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-chromen-6-yl)methyl]-7-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
PubChem CID157337455
Molecular FormulaC170H147F12N35O23
Molecular Weight3276.24 g/mol
Exact Mass3274.12
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-[(2,2-dimethyl-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]-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-chromen-6-yl)methyl]-7-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESCC(=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)OC(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)cc2C1
InChIInChI=1S/C31H30F2N6O4.C30H28FN5O5.C29H26N6O3.C28H22F3N5O5.C27H22F5N5O2.C25H19FN8O4/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;1-15-18(16(2)37)6-7-20-19(15)8-9-22(20)35-29(39)24-12-23(34-27-21(31)14-33-36(24)27)28(38)32-13-17-5-10-25-26(11-17)41-30(3,4)40-25;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)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;26-18-10-30-34-20(25(37)28-9-15-2-4-22-29-13-31-33(22)11-15)7-19(32-23(18)34)24(36)27-8-14-1-3-21-16(5-14)6-17(35)12-38-21/h3-5,7,13-14,16,25H,6,8-12,15H2,1-2H3,(H,34,41)(H,37,42);5-7,10-12,14,22H,8-9,13H2,1-4H3,(H,32,38)(H,35,39);3-5,7,9-14,24,30H,6,8,15H2,1-2H3,(H,31,37)(H,34,38);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);1-5,7,10-11,13H,6,8-9,12H2,(H,27,36)(H,28,37)/t25-;22-;24-;20-;21-;/m00000./s1
InChIKeyBFZRFYPSZXFVNU-CSTPQSDFSA-N
XLogP22.32
TPSA720.29 Ų
H-Bond Donors13
H-Bond Acceptors45
Rotatable Bonds36
Heavy Atoms240
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003276.24
LogP ≤ 522.32
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1045

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-[(2,2-dimethyl-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]-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-chromen-6-yl)methyl]-7-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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Related Compounds

7-N-[(1S)-5-[(2S)-2-acetylpyrrolidine-1-carbonyl]-4-methyl-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;2-hydroxybutyl (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-methyl-5-(2-oxopropylcarbamoyl)-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
CID 90800002
7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-methyl-3-oxo-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-(2-oxopropylcarbamoyl)-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 90923557
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-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 91003956
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]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-(trifluoromethyl)-4-pyridinyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 91339591
CID 157116233
CID 157116233
CID 157134493
CID 157134493
7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[(2-fluoro-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-[[4-fluoro-3-(trifluoromethyl)phenyl]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-(trifluoromethoxy)phenyl]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-(trifluoromethyl)phenyl]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-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 157201515
CID 157216748
CID 157216748
CID 157284297
CID 157284297
CID 157339895
CID 157339895
CID 157345855
CID 157345855
CID 157352090
CID 157352090

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-[(2,2-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-[(2,2-dimethyl-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]-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-chromen-6-yl)methyl]-7-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]-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-[(2,2-dimethyl-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]-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-chromen-6-yl)methyl]-7-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (CID 157337455) 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-[(2,2-dimethyl-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]-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-chromen-6-yl)methyl]-7-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]-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-[(2,2-dimethyl-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]-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-chromen-6-yl)methyl]-7-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]-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-[(2,2-dimethyl-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]-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-chromen-6-yl)methyl]-7-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is 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)OC(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)cc2C1.
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-[(2,2-dimethyl-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]-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-chromen-6-yl)methyl]-7-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The InChIKey is BFZRFYPSZXFVNU-CSTPQSDFSA-N. The full InChI is InChI=1S/C31H30F2N6O4.C30H28FN5O5.C29H26N6O3.C28H22F3N5O5.C27H22F5N5O2.C25H19FN8O4/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;1-15-18(16(2)37)6-7-20-19(15)8-9-22(20)35-29(39)24-12-23(34-27-21(31)14-33-36(24)27)28(38)32-13-17-5-10-25-26(11-17)41-30(3,4)40-25;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)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;26-18-10-30-34-20(25(37)28-9-15-2-4-22-29-13-31-33(22)11-15)7-19(32-23(18)34)24(36)27-8-14-1-3-21-16(5-14)6-17(35)12-38-21/h3-5,7,13-14,16,25H,6,8-12,15H2,1-2H3,(H,34,41)(H,37,42);5-7,10-12,14,22H,8-9,13H2,1-4H3,(H,32,38)(H,35,39);3-5,7,9-14,24,30H,6,8,15H2,1-2H3,(H,31,37)(H,34,38);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);1-5,7,10-11,13H,6,8-9,12H2,(H,27,36)(H,28,37)/t25-;22-;24-;20-;21-;/m00000./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-[(2,2-dimethyl-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]-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-chromen-6-yl)methyl]-7-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]-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-[(2,2-dimethyl-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]-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-chromen-6-yl)methyl]-7-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide has a molecular weight of 3276.24 g/mol, XLogP of 22.32, 36 rotatable bonds, 13 hydrogen bond donors, and 45 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-[(2,2-dimethyl-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]-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-chromen-6-yl)methyl]-7-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is sourced from PubChem (CID 157337455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).