N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2,5-difluoro-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-fluoro-5-methyl-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-fluoro-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methyl-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)benzamide

C143H144F17N35O5 — CID 159511483

IUPACN-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2,5-difluoro-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-fluoro-5-methyl-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-fluoro-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methyl-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)benzamide
SMILESCN1CCN(c2cc(F)c(C(=O)Nc3cnn4ccc(N5CCC[C@@H]5c5cc(F)ccc5F)nc34)cc2F)CC1.CN1CCN(c2ccc(C(=O)Nc3cnn4ccc(N5CCC[C@@H]5c5cc(F)ccc5F)nc34)c(C(F)(F)F)c2)CC1.CN1CCN(c2ccc(C(=O)Nc3cnn4ccc(N5CCC[C@@H]5c5cc(F)ccc5F)nc34)c(F)c2)CC1.Cc1cc(C(=O)Nc2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nc23)c(F)cc1N1CCN(C)CC1.Cc1cc(C(=O)Nc2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nc23)ccc1N1CCN(C)CC1
InChIInChI=1S/C29H28F5N7O.C29H30F3N7O.C29H31F2N7O.C28H27F4N7O.C28H28F3N7O/c1-38-11-13-39(14-12-38)19-5-6-20(22(16-19)29(32,33)34)28(42)36-24-17-35-41-10-8-26(37-27(24)41)40-9-2-3-25(40)21-15-18(30)4-7-23(21)31;1-18-14-21(23(32)16-26(18)37-12-10-36(2)11-13-37)29(40)34-24-17-33-39-9-7-27(35-28(24)39)38-8-3-4-25(38)20-15-19(30)5-6-22(20)31;1-19-16-20(5-8-25(19)36-14-12-35(2)13-15-36)29(39)33-24-18-32-38-11-9-27(34-28(24)38)37-10-3-4-26(37)22-17-21(30)6-7-23(22)31;1-36-9-11-37(12-10-36)25-15-21(31)19(14-22(25)32)28(40)34-23-16-33-39-8-6-26(35-27(23)39)38-7-2-3-24(38)18-13-17(29)4-5-20(18)30;1-35-11-13-36(14-12-35)19-5-6-20(23(31)16-19)28(39)33-24-17-32-38-10-8-26(34-27(24)38)37-9-2-3-25(37)21-15-18(29)4-7-22(21)30/h4-8,10,15-17,25H,2-3,9,11-14H2,1H3,(H,36,42);5-7,9,14-17,25H,3-4,8,10-13H2,1-2H3,(H,34,40);5-9,11,16-18,26H,3-4,10,12-15H2,1-2H3,(H,33,39);4-6,8,13-16,24H,2-3,7,9-12H2,1H3,(H,34,40);4-8,10,15-17,25H,2-3,9,11-14H2,1H3,(H,33,39)/t2*25-;26-;24-;25-/m11111/s1
InChIKeyMAQUAQRKEOMXFT-QBWMGRTRSA-N
MW2755.93 g/mol
LogP23.96
Rot. Bonds25

About N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2,5-difluoro-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-fluoro-5-methyl-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-fluoro-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methyl-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)benzamide

N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2,5-difluoro-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-fluoro-5-methyl-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-fluoro-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methyl-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)benzamide (PubChem CID 159511483) has the molecular formula C143H144F17N35O5 and a molecular weight of 2755.93 g/mol. Its IUPAC name is N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2,5-difluoro-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-fluoro-5-methyl-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-fluoro-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methyl-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2,5-difluoro-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-fluoro-5-methyl-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-fluoro-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methyl-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)benzamide
PubChem CID159511483
Molecular FormulaC143H144F17N35O5
Molecular Weight2755.93 g/mol
Exact Mass2754.18
IUPAC NameN-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2,5-difluoro-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-fluoro-5-methyl-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-fluoro-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methyl-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)benzamide
SMILESCN1CCN(c2cc(F)c(C(=O)Nc3cnn4ccc(N5CCC[C@@H]5c5cc(F)ccc5F)nc34)cc2F)CC1.CN1CCN(c2ccc(C(=O)Nc3cnn4ccc(N5CCC[C@@H]5c5cc(F)ccc5F)nc34)c(C(F)(F)F)c2)CC1.CN1CCN(c2ccc(C(=O)Nc3cnn4ccc(N5CCC[C@@H]5c5cc(F)ccc5F)nc34)c(F)c2)CC1.Cc1cc(C(=O)Nc2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nc23)c(F)cc1N1CCN(C)CC1.Cc1cc(C(=O)Nc2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nc23)ccc1N1CCN(C)CC1
InChIInChI=1S/C29H28F5N7O.C29H30F3N7O.C29H31F2N7O.C28H27F4N7O.C28H28F3N7O/c1-38-11-13-39(14-12-38)19-5-6-20(22(16-19)29(32,33)34)28(42)36-24-17-35-41-10-8-26(37-27(24)41)40-9-2-3-25(40)21-15-18(30)4-7-23(21)31;1-18-14-21(23(32)16-26(18)37-12-10-36(2)11-13-37)29(40)34-24-17-33-39-9-7-27(35-28(24)39)38-8-3-4-25(38)20-15-19(30)5-6-22(20)31;1-19-16-20(5-8-25(19)36-14-12-35(2)13-15-36)29(39)33-24-18-32-38-11-9-27(34-28(24)38)37-10-3-4-26(37)22-17-21(30)6-7-23(22)31;1-36-9-11-37(12-10-36)25-15-21(31)19(14-22(25)32)28(40)34-23-16-33-39-8-6-26(35-27(23)39)38-7-2-3-24(38)18-13-17(29)4-5-20(18)30;1-35-11-13-36(14-12-35)19-5-6-20(23(31)16-19)28(39)33-24-17-32-38-10-8-26(34-27(24)38)37-9-2-3-25(37)21-15-18(29)4-7-22(21)30/h4-8,10,15-17,25H,2-3,9,11-14H2,1H3,(H,36,42);5-7,9,14-17,25H,3-4,8,10-13H2,1-2H3,(H,34,40);5-9,11,16-18,26H,3-4,10,12-15H2,1-2H3,(H,33,39);4-6,8,13-16,24H,2-3,7,9-12H2,1H3,(H,34,40);4-8,10,15-17,25H,2-3,9,11-14H2,1H3,(H,33,39)/t2*25-;26-;24-;25-/m11111/s1
InChIKeyMAQUAQRKEOMXFT-QBWMGRTRSA-N
XLogP23.96
TPSA345.05 Ų
H-Bond Donors5
H-Bond Acceptors35
Rotatable Bonds25
Heavy Atoms200
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002755.93
LogP ≤ 523.96
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1035

Analyze N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2,5-difluoro-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-fluoro-5-methyl-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-fluoro-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methyl-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)benzamide with MolForge

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Related Compounds

N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethyl]-2-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]acetamide
CID 146410948
2-(2,6-dioxopiperidin-3-yl)-5-[[5-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-5-oxopentyl]amino]isoindole-1,3-dione
CID 146411074
2-(2,6-dioxopiperidin-3-yl)-5-[2-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]ethylamino]isoindole-1,3-dione
CID 149683645
N-[4-[[4-[4-[1-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]triazol-4-yl]butanoyl]piperazin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylbenzamide
CID 156013418
N-(2,6-difluorophenyl)-3-[3-(2-{[3-(1-methyl-1H-pyrazol-4-yl)phenyl]amino}-4-pyrimidinyl)imidazo[1,2-a]pyridin-2-yl]benzamide
CID 59452676
US11746110, Example 15
CID 146312064
4-methyl-~{N}-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide
CID 146621676
N-[6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166536903
5-[4-[[7-[[3-(2,6-dimethylanilino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 166545675
N-[6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 167250749
5-[3-[[4-[6-[(2,4-difluorophenyl)methylamino]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]methyl]pyrrolidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 171482727
5-[4-[4-[2-[4-[6-[(2,4-difluorophenyl)methylamino]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2-oxoethyl]phenyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 172466076

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2,5-difluoro-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-fluoro-5-methyl-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-fluoro-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methyl-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2,5-difluoro-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-fluoro-5-methyl-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-fluoro-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methyl-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)benzamide (CID 159511483) is N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2,5-difluoro-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-fluoro-5-methyl-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-fluoro-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methyl-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2,5-difluoro-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-fluoro-5-methyl-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-fluoro-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methyl-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2,5-difluoro-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-fluoro-5-methyl-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-fluoro-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methyl-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)benzamide is CN1CCN(c2cc(F)c(C(=O)Nc3cnn4ccc(N5CCC[C@@H]5c5cc(F)ccc5F)nc34)cc2F)CC1.CN1CCN(c2ccc(C(=O)Nc3cnn4ccc(N5CCC[C@@H]5c5cc(F)ccc5F)nc34)c(C(F)(F)F)c2)CC1.CN1CCN(c2ccc(C(=O)Nc3cnn4ccc(N5CCC[C@@H]5c5cc(F)ccc5F)nc34)c(F)c2)CC1.Cc1cc(C(=O)Nc2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nc23)c(F)cc1N1CCN(C)CC1.Cc1cc(C(=O)Nc2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nc23)ccc1N1CCN(C)CC1.
What is the InChIKey of N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2,5-difluoro-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-fluoro-5-methyl-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-fluoro-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methyl-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)benzamide?
The InChIKey is MAQUAQRKEOMXFT-QBWMGRTRSA-N. The full InChI is InChI=1S/C29H28F5N7O.C29H30F3N7O.C29H31F2N7O.C28H27F4N7O.C28H28F3N7O/c1-38-11-13-39(14-12-38)19-5-6-20(22(16-19)29(32,33)34)28(42)36-24-17-35-41-10-8-26(37-27(24)41)40-9-2-3-25(40)21-15-18(30)4-7-23(21)31;1-18-14-21(23(32)16-26(18)37-12-10-36(2)11-13-37)29(40)34-24-17-33-39-9-7-27(35-28(24)39)38-8-3-4-25(38)20-15-19(30)5-6-22(20)31;1-19-16-20(5-8-25(19)36-14-12-35(2)13-15-36)29(39)33-24-18-32-38-11-9-27(34-28(24)38)37-10-3-4-26(37)22-17-21(30)6-7-23(22)31;1-36-9-11-37(12-10-36)25-15-21(31)19(14-22(25)32)28(40)34-23-16-33-39-8-6-26(35-27(23)39)38-7-2-3-24(38)18-13-17(29)4-5-20(18)30;1-35-11-13-36(14-12-35)19-5-6-20(23(31)16-19)28(39)33-24-17-32-38-10-8-26(34-27(24)38)37-9-2-3-25(37)21-15-18(29)4-7-22(21)30/h4-8,10,15-17,25H,2-3,9,11-14H2,1H3,(H,36,42);5-7,9,14-17,25H,3-4,8,10-13H2,1-2H3,(H,34,40);5-9,11,16-18,26H,3-4,10,12-15H2,1-2H3,(H,33,39);4-6,8,13-16,24H,2-3,7,9-12H2,1H3,(H,34,40);4-8,10,15-17,25H,2-3,9,11-14H2,1H3,(H,33,39)/t2*25-;26-;24-;25-/m11111/s1.
What are the key properties of N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2,5-difluoro-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-fluoro-5-methyl-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-fluoro-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methyl-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)benzamide?
N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2,5-difluoro-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-fluoro-5-methyl-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-fluoro-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methyl-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)benzamide has a molecular weight of 2755.93 g/mol, XLogP of 23.96, 25 rotatable bonds, 5 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2,5-difluoro-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-fluoro-5-methyl-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-fluoro-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methyl-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 159511483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).