7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,1,3-benzothiadiazol-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-[[3-(4-methylpiperazin-1-yl)phenyl]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-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)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-[(5-sulfamoylthiophen-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3,4-difluorophenyl)methyl]-7-N-[(1S)-4-methyl-5-(2-oxopropylcarbamoyl)-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane;methyl 4-[[[7-[[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-5-carbonyl]amino]methyl]thiophene-2-carboxylate

C171H165F2N37O24S4 — CID 157213764

IUPAC7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,1,3-benzothiadiazol-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-[[3-(4-methylpiperazin-1-yl)phenyl]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-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)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-[(5-sulfamoylthiophen-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3,4-difluorophenyl)methyl]-7-N-[(1S)-4-methyl-5-(2-oxopropylcarbamoyl)-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane;methyl 4-[[[7-[[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-5-carbonyl]amino]methyl]thiophene-2-carboxylate
SMILESC.CC(=O)CNC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)c(F)c2)nc2ccnn12.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(S(N)(=O)=O)s2)nc2ccnn12.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3c(c2)NC(=O)CC3)nc2ccnn12.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3nsnc3c2)nc2ccnn12.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2cccc(N3CCN(C)CC3)c2)nc2ccnn12.COC(=O)c1cc(CNC(=O)c2cc(C(=O)N[C@H]3CCc4c3ccc(C(C)=O)c4C)n3nccc3n2)cs1
InChIInChI=1S/C32H35N7O3.C30H28N6O4.C29H26F2N6O4.C27H23N7O3S.C27H25N5O5S.C25H24N6O5S2.CH4/c1-20-24(21(2)40)7-8-26-25(20)9-10-27(26)36-32(42)29-18-28(35-30-11-12-34-39(29)30)31(41)33-19-22-5-4-6-23(17-22)38-15-13-37(3)14-16-38;1-16-20(17(2)37)6-7-22-21(16)8-9-23(22)35-30(40)26-14-25(33-27-11-12-32-36(26)27)29(39)31-15-18-3-4-19-5-10-28(38)34-24(19)13-18;1-15(38)13-32-27(39)19-4-5-20-18(16(19)2)6-8-23(20)36-29(41)25-12-24(35-26-9-10-34-37(25)26)28(40)33-14-17-3-7-21(30)22(31)11-17;1-14-17(15(2)35)4-5-19-18(14)6-8-20(19)31-27(37)24-12-23(30-25-9-10-29-34(24)25)26(36)28-13-16-3-7-21-22(11-16)33-38-32-21;1-14-17(15(2)33)4-5-19-18(14)6-7-20(19)31-26(35)22-11-21(30-24-8-9-29-32(22)24)25(34)28-12-16-10-23(38-13-16)27(36)37-3;1-13-16(14(2)32)4-5-18-17(13)6-7-19(18)30-25(34)21-11-20(29-22-9-10-28-31(21)22)24(33)27-12-15-3-8-23(37-15)38(26,35)36;/h4-8,11-12,17-18,27H,9-10,13-16,19H2,1-3H3,(H,33,41)(H,36,42);3-4,6-7,11-14,23H,5,8-10,15H2,1-2H3,(H,31,39)(H,34,38)(H,35,40);3-5,7,9-12,23H,6,8,13-14H2,1-2H3,(H,32,39)(H,33,40)(H,36,41);3-5,7,9-12,20H,6,8,13H2,1-2H3,(H,28,36)(H,31,37);4-5,8-11,13,20H,6-7,12H2,1-3H3,(H,28,34)(H,31,35);3-5,8-11,19H,6-7,12H2,1-2H3,(H,27,33)(H,30,34)(H2,26,35,36);1H4/t27-;2*23-;2*20-;19-;/m000000./s1
InChIKeyASEIZWDRUKKEFG-HDZRCPRLSA-N
MW3288.70 g/mol
LogP19.75
Rot. Bonds41

About 7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,1,3-benzothiadiazol-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-[[3-(4-methylpiperazin-1-yl)phenyl]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-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)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-[(5-sulfamoylthiophen-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3,4-difluorophenyl)methyl]-7-N-[(1S)-4-methyl-5-(2-oxopropylcarbamoyl)-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane;methyl 4-[[[7-[[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-5-carbonyl]amino]methyl]thiophene-2-carboxylate

7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,1,3-benzothiadiazol-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-[[3-(4-methylpiperazin-1-yl)phenyl]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-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)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-[(5-sulfamoylthiophen-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3,4-difluorophenyl)methyl]-7-N-[(1S)-4-methyl-5-(2-oxopropylcarbamoyl)-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane;methyl 4-[[[7-[[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-5-carbonyl]amino]methyl]thiophene-2-carboxylate (PubChem CID 157213764) has the molecular formula C171H165F2N37O24S4 and a molecular weight of 3288.70 g/mol. Its IUPAC name is 7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,1,3-benzothiadiazol-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-[[3-(4-methylpiperazin-1-yl)phenyl]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-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)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-[(5-sulfamoylthiophen-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3,4-difluorophenyl)methyl]-7-N-[(1S)-4-methyl-5-(2-oxopropylcarbamoyl)-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane;methyl 4-[[[7-[[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-5-carbonyl]amino]methyl]thiophene-2-carboxylate.

Molecular Properties

Compound Name7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,1,3-benzothiadiazol-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-[[3-(4-methylpiperazin-1-yl)phenyl]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-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)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-[(5-sulfamoylthiophen-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3,4-difluorophenyl)methyl]-7-N-[(1S)-4-methyl-5-(2-oxopropylcarbamoyl)-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane;methyl 4-[[[7-[[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-5-carbonyl]amino]methyl]thiophene-2-carboxylate
PubChem CID157213764
Molecular FormulaC171H165F2N37O24S4
Molecular Weight3288.70 g/mol
Exact Mass3286.17
IUPAC Name7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,1,3-benzothiadiazol-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-[[3-(4-methylpiperazin-1-yl)phenyl]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-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)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-[(5-sulfamoylthiophen-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3,4-difluorophenyl)methyl]-7-N-[(1S)-4-methyl-5-(2-oxopropylcarbamoyl)-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane;methyl 4-[[[7-[[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-5-carbonyl]amino]methyl]thiophene-2-carboxylate
SMILESC.CC(=O)CNC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)c(F)c2)nc2ccnn12.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(S(N)(=O)=O)s2)nc2ccnn12.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3c(c2)NC(=O)CC3)nc2ccnn12.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3nsnc3c2)nc2ccnn12.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2cccc(N3CCN(C)CC3)c2)nc2ccnn12.COC(=O)c1cc(CNC(=O)c2cc(C(=O)N[C@H]3CCc4c3ccc(C(C)=O)c4C)n3nccc3n2)cs1
InChIInChI=1S/C32H35N7O3.C30H28N6O4.C29H26F2N6O4.C27H23N7O3S.C27H25N5O5S.C25H24N6O5S2.CH4/c1-20-24(21(2)40)7-8-26-25(20)9-10-27(26)36-32(42)29-18-28(35-30-11-12-34-39(29)30)31(41)33-19-22-5-4-6-23(17-22)38-15-13-37(3)14-16-38;1-16-20(17(2)37)6-7-22-21(16)8-9-23(22)35-30(40)26-14-25(33-27-11-12-32-36(26)27)29(39)31-15-18-3-4-19-5-10-28(38)34-24(19)13-18;1-15(38)13-32-27(39)19-4-5-20-18(16(19)2)6-8-23(20)36-29(41)25-12-24(35-26-9-10-34-37(25)26)28(40)33-14-17-3-7-21(30)22(31)11-17;1-14-17(15(2)35)4-5-19-18(14)6-8-20(19)31-27(37)24-12-23(30-25-9-10-29-34(24)25)26(36)28-13-16-3-7-21-22(11-16)33-38-32-21;1-14-17(15(2)33)4-5-19-18(14)6-7-20(19)31-26(35)22-11-21(30-24-8-9-29-32(22)24)25(34)28-12-16-10-23(38-13-16)27(36)37-3;1-13-16(14(2)32)4-5-18-17(13)6-7-19(18)30-25(34)21-11-20(29-22-9-10-28-31(21)22)24(33)27-12-15-3-8-23(37-15)38(26,35)36;/h4-8,11-12,17-18,27H,9-10,13-16,19H2,1-3H3,(H,33,41)(H,36,42);3-4,6-7,11-14,23H,5,8-10,15H2,1-2H3,(H,31,39)(H,34,38)(H,35,40);3-5,7,9-12,23H,6,8,13-14H2,1-2H3,(H,32,39)(H,33,40)(H,36,41);3-5,7,9-12,20H,6,8,13H2,1-2H3,(H,28,36)(H,31,37);4-5,8-11,13,20H,6-7,12H2,1-3H3,(H,28,34)(H,31,35);3-5,8-11,19H,6-7,12H2,1-2H3,(H,27,33)(H,30,34)(H2,26,35,36);1H4/t27-;2*23-;2*20-;19-;/m000000./s1
InChIKeyASEIZWDRUKKEFG-HDZRCPRLSA-N
XLogP19.75
TPSA809.68 Ų
H-Bond Donors15
H-Bond Acceptors49
Rotatable Bonds41
Heavy Atoms238
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003288.70
LogP ≤ 519.75
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1049

Analyze 7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,1,3-benzothiadiazol-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-[[3-(4-methylpiperazin-1-yl)phenyl]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-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)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-[(5-sulfamoylthiophen-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3,4-difluorophenyl)methyl]-7-N-[(1S)-4-methyl-5-(2-oxopropylcarbamoyl)-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane;methyl 4-[[[7-[[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-5-carbonyl]amino]methyl]thiophene-2-carboxylate with MolForge

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Related Compounds

CID 158322500
CID 158322500
CID 159047337
CID 159047337
7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(5-sulfamoylthiophen-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methyl 4-[[[7-[[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-5-carbonyl]amino]methyl]thiophene-2-carboxylate
CID 90716970
7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methyl 4-[[[7-[[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-5-carbonyl]amino]methyl]thiophene-2-carboxylate
CID 91137424
7-N-[(1S)-5-acetyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,1,3-benzothiadiazol-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,1,3-benzoxadiazol-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2-isocyano-1-benzothiophen-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(6-acetyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(6,7-dimethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-N-[(4-fluoro-3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 157321672
CID 157434787
CID 157434787
7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,1,3-benzothiadiazol-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-[[3-(4-methylpiperazin-1-yl)phenyl]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-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)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-[(5-sulfamoylthiophen-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3,4-difluorophenyl)methyl]-7-N-[(1S)-4-methyl-5-(2-oxopropylcarbamoyl)-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methyl 4-[[[7-[[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-5-carbonyl]amino]methyl]thiophene-2-carboxylate
CID 157747219
CID 157951907
CID 157951907
7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,1,3-benzothiadiazol-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-(1-benzothiophen-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-[[3-(4-methylpiperazin-1-yl)phenyl]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-[(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-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3,4-difluorophenyl)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 158284331
bis(7-N-(6-acetyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide);7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,1,3-benzothiadiazol-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,1,3-benzoxadiazol-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(4-fluoro-3-methylphenyl)methyl]tetrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(5-isocyanothiophen-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(6,7-dimethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-N-[(4-fluoro-3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 158730141
CID 159779788
CID 159779788
CID 160063212
CID 160063212

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-(2,1,3-benzothiadiazol-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-[[3-(4-methylpiperazin-1-yl)phenyl]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-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)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-[(5-sulfamoylthiophen-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3,4-difluorophenyl)methyl]-7-N-[(1S)-4-methyl-5-(2-oxopropylcarbamoyl)-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane;methyl 4-[[[7-[[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-5-carbonyl]amino]methyl]thiophene-2-carboxylate?
The IUPAC name of 7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,1,3-benzothiadiazol-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-[[3-(4-methylpiperazin-1-yl)phenyl]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-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)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-[(5-sulfamoylthiophen-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3,4-difluorophenyl)methyl]-7-N-[(1S)-4-methyl-5-(2-oxopropylcarbamoyl)-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane;methyl 4-[[[7-[[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-5-carbonyl]amino]methyl]thiophene-2-carboxylate (CID 157213764) is 7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,1,3-benzothiadiazol-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-[[3-(4-methylpiperazin-1-yl)phenyl]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-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)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-[(5-sulfamoylthiophen-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3,4-difluorophenyl)methyl]-7-N-[(1S)-4-methyl-5-(2-oxopropylcarbamoyl)-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane;methyl 4-[[[7-[[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-5-carbonyl]amino]methyl]thiophene-2-carboxylate.
What is the SMILES notation for 7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,1,3-benzothiadiazol-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-[[3-(4-methylpiperazin-1-yl)phenyl]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-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)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-[(5-sulfamoylthiophen-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3,4-difluorophenyl)methyl]-7-N-[(1S)-4-methyl-5-(2-oxopropylcarbamoyl)-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane;methyl 4-[[[7-[[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-5-carbonyl]amino]methyl]thiophene-2-carboxylate?
The canonical SMILES for 7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,1,3-benzothiadiazol-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-[[3-(4-methylpiperazin-1-yl)phenyl]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-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)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-[(5-sulfamoylthiophen-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3,4-difluorophenyl)methyl]-7-N-[(1S)-4-methyl-5-(2-oxopropylcarbamoyl)-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane;methyl 4-[[[7-[[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-5-carbonyl]amino]methyl]thiophene-2-carboxylate is C.CC(=O)CNC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)c(F)c2)nc2ccnn12.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(S(N)(=O)=O)s2)nc2ccnn12.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3c(c2)NC(=O)CC3)nc2ccnn12.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3nsnc3c2)nc2ccnn12.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2cccc(N3CCN(C)CC3)c2)nc2ccnn12.COC(=O)c1cc(CNC(=O)c2cc(C(=O)N[C@H]3CCc4c3ccc(C(C)=O)c4C)n3nccc3n2)cs1.
What is the InChIKey of 7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,1,3-benzothiadiazol-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-[[3-(4-methylpiperazin-1-yl)phenyl]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-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)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-[(5-sulfamoylthiophen-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3,4-difluorophenyl)methyl]-7-N-[(1S)-4-methyl-5-(2-oxopropylcarbamoyl)-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane;methyl 4-[[[7-[[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-5-carbonyl]amino]methyl]thiophene-2-carboxylate?
The InChIKey is ASEIZWDRUKKEFG-HDZRCPRLSA-N. The full InChI is InChI=1S/C32H35N7O3.C30H28N6O4.C29H26F2N6O4.C27H23N7O3S.C27H25N5O5S.C25H24N6O5S2.CH4/c1-20-24(21(2)40)7-8-26-25(20)9-10-27(26)36-32(42)29-18-28(35-30-11-12-34-39(29)30)31(41)33-19-22-5-4-6-23(17-22)38-15-13-37(3)14-16-38;1-16-20(17(2)37)6-7-22-21(16)8-9-23(22)35-30(40)26-14-25(33-27-11-12-32-36(26)27)29(39)31-15-18-3-4-19-5-10-28(38)34-24(19)13-18;1-15(38)13-32-27(39)19-4-5-20-18(16(19)2)6-8-23(20)36-29(41)25-12-24(35-26-9-10-34-37(25)26)28(40)33-14-17-3-7-21(30)22(31)11-17;1-14-17(15(2)35)4-5-19-18(14)6-8-20(19)31-27(37)24-12-23(30-25-9-10-29-34(24)25)26(36)28-13-16-3-7-21-22(11-16)33-38-32-21;1-14-17(15(2)33)4-5-19-18(14)6-7-20(19)31-26(35)22-11-21(30-24-8-9-29-32(22)24)25(34)28-12-16-10-23(38-13-16)27(36)37-3;1-13-16(14(2)32)4-5-18-17(13)6-7-19(18)30-25(34)21-11-20(29-22-9-10-28-31(21)22)24(33)27-12-15-3-8-23(37-15)38(26,35)36;/h4-8,11-12,17-18,27H,9-10,13-16,19H2,1-3H3,(H,33,41)(H,36,42);3-4,6-7,11-14,23H,5,8-10,15H2,1-2H3,(H,31,39)(H,34,38)(H,35,40);3-5,7,9-12,23H,6,8,13-14H2,1-2H3,(H,32,39)(H,33,40)(H,36,41);3-5,7,9-12,20H,6,8,13H2,1-2H3,(H,28,36)(H,31,37);4-5,8-11,13,20H,6-7,12H2,1-3H3,(H,28,34)(H,31,35);3-5,8-11,19H,6-7,12H2,1-2H3,(H,27,33)(H,30,34)(H2,26,35,36);1H4/t27-;2*23-;2*20-;19-;/m000000./s1.
What are the key properties of 7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,1,3-benzothiadiazol-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-[[3-(4-methylpiperazin-1-yl)phenyl]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-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)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-[(5-sulfamoylthiophen-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3,4-difluorophenyl)methyl]-7-N-[(1S)-4-methyl-5-(2-oxopropylcarbamoyl)-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane;methyl 4-[[[7-[[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-5-carbonyl]amino]methyl]thiophene-2-carboxylate?
7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,1,3-benzothiadiazol-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-[[3-(4-methylpiperazin-1-yl)phenyl]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-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)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-[(5-sulfamoylthiophen-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3,4-difluorophenyl)methyl]-7-N-[(1S)-4-methyl-5-(2-oxopropylcarbamoyl)-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane;methyl 4-[[[7-[[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-5-carbonyl]amino]methyl]thiophene-2-carboxylate has a molecular weight of 3288.70 g/mol, XLogP of 19.75, 41 rotatable bonds, 15 hydrogen bond donors, and 49 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-(2,1,3-benzothiadiazol-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-[[3-(4-methylpiperazin-1-yl)phenyl]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-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)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-[(5-sulfamoylthiophen-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3,4-difluorophenyl)methyl]-7-N-[(1S)-4-methyl-5-(2-oxopropylcarbamoyl)-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane;methyl 4-[[[7-[[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-5-carbonyl]amino]methyl]thiophene-2-carboxylate is sourced from PubChem (CID 157213764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).