5-[(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-(2,2-dimethylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)-N-[(2S)-2-methylcyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-dimethylbutyl)-5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-dimethylpropyl)-5-[(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-N-(3-methylcyclobutyl)-5-[(1-methyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-N-[(2S)-2-methylcyclopropyl]-5-[(1-methyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C143H166F8N44O19 — CID 165032439

IUPAC5-[(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-(2,2-dimethylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)-N-[(2S)-2-methylcyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-dimethylbutyl)-5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-dimethylpropyl)-5-[(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-N-(3-methylcyclobutyl)-5-[(1-methyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-N-[(2S)-2-methylcyclopropyl]-5-[(1-methyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCC(C)(C)CNC(=O)c1cnn2c(NC)cc(Nc3c(F)c(F)cc4c3OCCO4)nc12.CCC(C)(C)CNC(=O)c1cnn2c(NC)cc(Nc3cc(F)cc4c3OCCO4)nc12.CNc1cc(Nc2c(F)c(F)cc3c2OCCO3)nc2c(C(=O)NC3C[C@@H]3C)cnn12.CNc1cc(Nc2c(F)c(F)cc3c2OCCO3)nc2c(C(=O)NCC(C)(C)C)cnn12.CNc1cc(Nc2c(F)ccc3c2OCCO3)nc2c(C(=O)NCC(C)(C)C)cnn12.CNc1cc(Nc2cccn(C)c2=O)nc2c(C(=O)NC3CC(C)C3)cnn12.CNc1cc(Nc2cccn(C)c2=O)nc2c(C(=O)NC3C[C@@H]3C)cnn12
InChIInChI=1S/C22H26F2N6O3.C22H27FN6O3.C21H24F2N6O3.C21H25FN6O3.C20H20F2N6O3.C19H23N7O2.C18H21N7O2/c1-5-22(2,3)11-26-21(31)12-10-27-30-16(25-4)9-15(29-20(12)30)28-18-17(24)13(23)8-14-19(18)33-7-6-32-14;1-5-22(2,3)12-25-21(30)14-11-26-29-18(24-4)10-17(28-20(14)29)27-15-8-13(23)9-16-19(15)32-7-6-31-16;1-21(2,3)10-25-20(30)11-9-26-29-15(24-4)8-14(28-19(11)29)27-17-16(23)12(22)7-13-18(17)32-6-5-31-13;1-21(2,3)11-24-20(29)12-10-25-28-16(23-4)9-15(27-19(12)28)26-17-13(22)5-6-14-18(17)31-8-7-30-14;1-9-5-12(9)25-20(29)10-8-24-28-15(23-2)7-14(27-19(10)28)26-17-16(22)11(21)6-13-18(17)31-4-3-30-13;1-11-7-12(8-11)22-18(27)13-10-21-26-16(20-2)9-15(24-17(13)26)23-14-5-4-6-25(3)19(14)28;1-10-7-13(10)22-17(26)11-9-20-25-15(19-2)8-14(23-16(11)25)21-12-5-4-6-24(3)18(12)27/h8-10,25H,5-7,11H2,1-4H3,(H,26,31)(H,28,29);8-11,24H,5-7,12H2,1-4H3,(H,25,30)(H,27,28);7-9,24H,5-6,10H2,1-4H3,(H,25,30)(H,27,28);5-6,9-10,23H,7-8,11H2,1-4H3,(H,24,29)(H,26,27);6-9,12,23H,3-5H2,1-2H3,(H,25,29)(H,26,27);4-6,9-12,20H,7-8H2,1-3H3,(H,22,27)(H,23,24);4-6,8-10,13,19H,7H2,1-3H3,(H,21,23)(H,22,26)/t;;;;9-,12?;;10-,13?/m....0.0/s1
InChIKeyMWHLIWWBYREUIV-FZAVQBRNSA-N
MW2957.17 g/mol
LogP19.66
Rot. Bonds39

About 5-[(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-(2,2-dimethylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)-N-[(2S)-2-methylcyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-dimethylbutyl)-5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-dimethylpropyl)-5-[(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-N-(3-methylcyclobutyl)-5-[(1-methyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-N-[(2S)-2-methylcyclopropyl]-5-[(1-methyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-(2,2-dimethylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)-N-[(2S)-2-methylcyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-dimethylbutyl)-5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-dimethylpropyl)-5-[(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-N-(3-methylcyclobutyl)-5-[(1-methyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-N-[(2S)-2-methylcyclopropyl]-5-[(1-methyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 165032439) has the molecular formula C143H166F8N44O19 and a molecular weight of 2957.17 g/mol. Its IUPAC name is 5-[(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-(2,2-dimethylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)-N-[(2S)-2-methylcyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-dimethylbutyl)-5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-dimethylpropyl)-5-[(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-N-(3-methylcyclobutyl)-5-[(1-methyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-N-[(2S)-2-methylcyclopropyl]-5-[(1-methyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-(2,2-dimethylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)-N-[(2S)-2-methylcyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-dimethylbutyl)-5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-dimethylpropyl)-5-[(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-N-(3-methylcyclobutyl)-5-[(1-methyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-N-[(2S)-2-methylcyclopropyl]-5-[(1-methyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID165032439
Molecular FormulaC143H166F8N44O19
Molecular Weight2957.17 g/mol
Exact Mass2955.32
IUPAC Name5-[(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-(2,2-dimethylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)-N-[(2S)-2-methylcyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-dimethylbutyl)-5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-dimethylpropyl)-5-[(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-N-(3-methylcyclobutyl)-5-[(1-methyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-N-[(2S)-2-methylcyclopropyl]-5-[(1-methyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCC(C)(C)CNC(=O)c1cnn2c(NC)cc(Nc3c(F)c(F)cc4c3OCCO4)nc12.CCC(C)(C)CNC(=O)c1cnn2c(NC)cc(Nc3cc(F)cc4c3OCCO4)nc12.CNc1cc(Nc2c(F)c(F)cc3c2OCCO3)nc2c(C(=O)NC3C[C@@H]3C)cnn12.CNc1cc(Nc2c(F)c(F)cc3c2OCCO3)nc2c(C(=O)NCC(C)(C)C)cnn12.CNc1cc(Nc2c(F)ccc3c2OCCO3)nc2c(C(=O)NCC(C)(C)C)cnn12.CNc1cc(Nc2cccn(C)c2=O)nc2c(C(=O)NC3CC(C)C3)cnn12.CNc1cc(Nc2cccn(C)c2=O)nc2c(C(=O)NC3C[C@@H]3C)cnn12
InChIInChI=1S/C22H26F2N6O3.C22H27FN6O3.C21H24F2N6O3.C21H25FN6O3.C20H20F2N6O3.C19H23N7O2.C18H21N7O2/c1-5-22(2,3)11-26-21(31)12-10-27-30-16(25-4)9-15(29-20(12)30)28-18-17(24)13(23)8-14-19(18)33-7-6-32-14;1-5-22(2,3)12-25-21(30)14-11-26-29-18(24-4)10-17(28-20(14)29)27-15-8-13(23)9-16-19(15)32-7-6-31-16;1-21(2,3)10-25-20(30)11-9-26-29-15(24-4)8-14(28-19(11)29)27-17-16(23)12(22)7-13-18(17)32-6-5-31-13;1-21(2,3)11-24-20(29)12-10-25-28-16(23-4)9-15(27-19(12)28)26-17-13(22)5-6-14-18(17)31-8-7-30-14;1-9-5-12(9)25-20(29)10-8-24-28-15(23-2)7-14(27-19(10)28)26-17-16(22)11(21)6-13-18(17)31-4-3-30-13;1-11-7-12(8-11)22-18(27)13-10-21-26-16(20-2)9-15(24-17(13)26)23-14-5-4-6-25(3)19(14)28;1-10-7-13(10)22-17(26)11-9-20-25-15(19-2)8-14(23-16(11)25)21-12-5-4-6-24(3)18(12)27/h8-10,25H,5-7,11H2,1-4H3,(H,26,31)(H,28,29);8-11,24H,5-7,12H2,1-4H3,(H,25,30)(H,27,28);7-9,24H,5-6,10H2,1-4H3,(H,25,30)(H,27,28);5-6,9-10,23H,7-8,11H2,1-4H3,(H,24,29)(H,26,27);6-9,12,23H,3-5H2,1-2H3,(H,25,29)(H,26,27);4-6,9-12,20H,7-8H2,1-3H3,(H,22,27)(H,23,24);4-6,8-10,13,19H,7H2,1-3H3,(H,21,23)(H,22,26)/t;;;;9-,12?;;10-,13?/m....0.0/s1
InChIKeyMWHLIWWBYREUIV-FZAVQBRNSA-N
XLogP19.66
TPSA719.75 Ų
H-Bond Donors21
H-Bond Acceptors56
Rotatable Bonds39
Heavy Atoms214
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002957.17
LogP ≤ 519.66
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1056

Analyze 5-[(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-(2,2-dimethylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)-N-[(2S)-2-methylcyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-dimethylbutyl)-5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-dimethylpropyl)-5-[(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-N-(3-methylcyclobutyl)-5-[(1-methyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-N-[(2S)-2-methylcyclopropyl]-5-[(1-methyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-(2,2-dimethylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)-N-[(2S)-2-methylcyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-dimethylbutyl)-5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-dimethylpropyl)-5-[(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-N-(3-methylcyclobutyl)-5-[(1-methyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-N-[(2S)-2-methylcyclopropyl]-5-[(1-methyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-(2,2-dimethylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)-N-[(2S)-2-methylcyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-dimethylbutyl)-5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-dimethylpropyl)-5-[(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-N-(3-methylcyclobutyl)-5-[(1-methyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-N-[(2S)-2-methylcyclopropyl]-5-[(1-methyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 165032439) is 5-[(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-(2,2-dimethylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)-N-[(2S)-2-methylcyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-dimethylbutyl)-5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-dimethylpropyl)-5-[(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-N-(3-methylcyclobutyl)-5-[(1-methyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-N-[(2S)-2-methylcyclopropyl]-5-[(1-methyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-(2,2-dimethylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)-N-[(2S)-2-methylcyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-dimethylbutyl)-5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-dimethylpropyl)-5-[(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-N-(3-methylcyclobutyl)-5-[(1-methyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-N-[(2S)-2-methylcyclopropyl]-5-[(1-methyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-(2,2-dimethylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)-N-[(2S)-2-methylcyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-dimethylbutyl)-5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-dimethylpropyl)-5-[(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-N-(3-methylcyclobutyl)-5-[(1-methyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-N-[(2S)-2-methylcyclopropyl]-5-[(1-methyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCC(C)(C)CNC(=O)c1cnn2c(NC)cc(Nc3c(F)c(F)cc4c3OCCO4)nc12.CCC(C)(C)CNC(=O)c1cnn2c(NC)cc(Nc3cc(F)cc4c3OCCO4)nc12.CNc1cc(Nc2c(F)c(F)cc3c2OCCO3)nc2c(C(=O)NC3C[C@@H]3C)cnn12.CNc1cc(Nc2c(F)c(F)cc3c2OCCO3)nc2c(C(=O)NCC(C)(C)C)cnn12.CNc1cc(Nc2c(F)ccc3c2OCCO3)nc2c(C(=O)NCC(C)(C)C)cnn12.CNc1cc(Nc2cccn(C)c2=O)nc2c(C(=O)NC3CC(C)C3)cnn12.CNc1cc(Nc2cccn(C)c2=O)nc2c(C(=O)NC3C[C@@H]3C)cnn12.
What is the InChIKey of 5-[(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-(2,2-dimethylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)-N-[(2S)-2-methylcyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-dimethylbutyl)-5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-dimethylpropyl)-5-[(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-N-(3-methylcyclobutyl)-5-[(1-methyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-N-[(2S)-2-methylcyclopropyl]-5-[(1-methyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is MWHLIWWBYREUIV-FZAVQBRNSA-N. The full InChI is InChI=1S/C22H26F2N6O3.C22H27FN6O3.C21H24F2N6O3.C21H25FN6O3.C20H20F2N6O3.C19H23N7O2.C18H21N7O2/c1-5-22(2,3)11-26-21(31)12-10-27-30-16(25-4)9-15(29-20(12)30)28-18-17(24)13(23)8-14-19(18)33-7-6-32-14;1-5-22(2,3)12-25-21(30)14-11-26-29-18(24-4)10-17(28-20(14)29)27-15-8-13(23)9-16-19(15)32-7-6-31-16;1-21(2,3)10-25-20(30)11-9-26-29-15(24-4)8-14(28-19(11)29)27-17-16(23)12(22)7-13-18(17)32-6-5-31-13;1-21(2,3)11-24-20(29)12-10-25-28-16(23-4)9-15(27-19(12)28)26-17-13(22)5-6-14-18(17)31-8-7-30-14;1-9-5-12(9)25-20(29)10-8-24-28-15(23-2)7-14(27-19(10)28)26-17-16(22)11(21)6-13-18(17)31-4-3-30-13;1-11-7-12(8-11)22-18(27)13-10-21-26-16(20-2)9-15(24-17(13)26)23-14-5-4-6-25(3)19(14)28;1-10-7-13(10)22-17(26)11-9-20-25-15(19-2)8-14(23-16(11)25)21-12-5-4-6-24(3)18(12)27/h8-10,25H,5-7,11H2,1-4H3,(H,26,31)(H,28,29);8-11,24H,5-7,12H2,1-4H3,(H,25,30)(H,27,28);7-9,24H,5-6,10H2,1-4H3,(H,25,30)(H,27,28);5-6,9-10,23H,7-8,11H2,1-4H3,(H,24,29)(H,26,27);6-9,12,23H,3-5H2,1-2H3,(H,25,29)(H,26,27);4-6,9-12,20H,7-8H2,1-3H3,(H,22,27)(H,23,24);4-6,8-10,13,19H,7H2,1-3H3,(H,21,23)(H,22,26)/t;;;;9-,12?;;10-,13?/m....0.0/s1.
What are the key properties of 5-[(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-(2,2-dimethylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)-N-[(2S)-2-methylcyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-dimethylbutyl)-5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-dimethylpropyl)-5-[(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-N-(3-methylcyclobutyl)-5-[(1-methyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-N-[(2S)-2-methylcyclopropyl]-5-[(1-methyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-(2,2-dimethylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)-N-[(2S)-2-methylcyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-dimethylbutyl)-5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-dimethylpropyl)-5-[(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-N-(3-methylcyclobutyl)-5-[(1-methyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-N-[(2S)-2-methylcyclopropyl]-5-[(1-methyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 2957.17 g/mol, XLogP of 19.66, 39 rotatable bonds, 21 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-(2,2-dimethylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)-N-[(2S)-2-methylcyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-dimethylbutyl)-5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-dimethylpropyl)-5-[(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-N-(3-methylcyclobutyl)-5-[(1-methyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-N-[(2S)-2-methylcyclopropyl]-5-[(1-methyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 165032439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).