N-[5-[5-cyclobutylsulfanyl-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[5-cyclopentylsulfanyl-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(difluoromethylsulfanyl)phenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(difluoromethylsulfanyl)phenyl]-1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(difluoromethylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(1-methylpiperidin-3-yl)sulfanylphenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(oxan-4-ylsulfanyl)phenyl]-1-[2-[4-[methyl(oxetan-3-yl)amino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(oxolan-3-ylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(trifluoromethylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C199H176F27N59O24S9 — CID 158636798

IUPACN-[5-[5-cyclobutylsulfanyl-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[5-cyclopentylsulfanyl-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(difluoromethylsulfanyl)phenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(difluoromethylsulfanyl)phenyl]-1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(difluoromethylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(1-methylpiperidin-3-yl)sulfanylphenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(oxan-4-ylsulfanyl)phenyl]-1-[2-[4-[methyl(oxetan-3-yl)amino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(oxolan-3-ylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(trifluoromethylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(SC(F)F)ccc2OC(F)F)n1.CN(C1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(SC4CCOCC4)ccc3OC(F)F)n2)CC1)C1COC1.CN1CCCC(Sc2ccc(OC(F)F)c(-c3[nH]ncc3NC(=O)c3cnn4cccnc34)c2)C1.CNC(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(SC(F)F)ccc2OC(F)F)n1.O=C(Nc1cn[nH]c1-c1cc(SC(F)(F)F)ccc1OC(F)F)c1cnn2cccnc12.O=C(Nc1cn[nH]c1-c1cc(SC(F)F)ccc1OC(F)F)c1cnn2cccnc12.O=C(Nc1cn[nH]c1-c1cc(SC2CCC2)ccc1OC(F)F)c1cnn2cccnc12.O=C(Nc1cn[nH]c1-c1cc(SC2CCCC2)ccc1OC(F)F)c1cnn2cccnc12.O=C(Nc1cn[nH]c1-c1cc(SC2CCOC2)ccc1OC(F)F)c1cnn2cccnc12
InChIInChI=1S/C33H38F2N8O5S.C23H23F2N7O2S.C22H19F4N7O3S.C22H20F2N6O2S.C21H17F4N7O3S.C21H18F2N6O3S.C21H18F2N6O2S.C18H11F5N6O2S.C18H12F4N6O2S/c1-40(22-19-47-20-22)21-5-11-41(12-6-21)29(44)18-42-17-27(38-32(45)26-16-37-43-10-2-9-36-31(26)43)30(39-42)25-15-24(3-4-28(25)48-33(34)35)49-23-7-13-46-14-8-23;1-31-8-2-4-15(13-31)35-14-5-6-19(34-23(24)25)16(10-14)20-18(12-27-30-20)29-22(33)17-11-28-32-9-3-7-26-21(17)32;1-31(2)17(34)11-32-10-15(29-20(35)14-9-28-33-7-3-6-27-19(14)33)18(30-32)13-8-12(37-22(25)26)4-5-16(13)36-21(23)24;23-22(24)32-18-7-6-14(33-13-4-1-2-5-13)10-15(18)19-17(12-26-29-19)28-21(31)16-11-27-30-9-3-8-25-20(16)30;1-26-16(33)10-31-9-14(29-19(34)13-8-28-32-6-2-5-27-18(13)32)17(30-31)12-7-11(36-21(24)25)3-4-15(12)35-20(22)23;22-21(23)32-17-3-2-12(33-13-4-7-31-11-13)8-14(17)18-16(10-25-28-18)27-20(30)15-9-26-29-6-1-5-24-19(15)29;22-21(23)31-17-6-5-13(32-12-3-1-4-12)9-14(17)18-16(11-25-28-18)27-20(30)15-10-26-29-8-2-7-24-19(15)29;19-17(20)31-13-3-2-9(32-18(21,22)23)6-10(13)14-12(8-25-28-14)27-16(30)11-7-26-29-5-1-4-24-15(11)29;19-17(20)30-13-3-2-9(31-18(21)22)6-10(13)14-12(8-24-27-14)26-16(29)11-7-25-28-5-1-4-23-15(11)28/h2-4,9-10,15-17,21-23,33H,5-8,11-14,18-20H2,1H3,(H,38,45);3,5-7,9-12,15,23H,2,4,8,13H2,1H3,(H,27,30)(H,29,33);3-10,21-22H,11H2,1-2H3,(H,29,35);3,6-13,22H,1-2,4-5H2,(H,26,29)(H,28,31);2-9,20-21H,10H2,1H3,(H,26,33)(H,29,34);1-3,5-6,8-10,13,21H,4,7,11H2,(H,25,28)(H,27,30);2,5-12,21H,1,3-4H2,(H,25,28)(H,27,30);1-8,17H,(H,25,28)(H,27,30);1-8,17-18H,(H,24,27)(H,26,29)
InChIKeyHZWHQMBNNUOJPA-UHFFFAOYSA-N
MW4579.54 g/mol
LogP37.91
Rot. Bonds70

About N-[5-[5-cyclobutylsulfanyl-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[5-cyclopentylsulfanyl-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(difluoromethylsulfanyl)phenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(difluoromethylsulfanyl)phenyl]-1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(difluoromethylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(1-methylpiperidin-3-yl)sulfanylphenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(oxan-4-ylsulfanyl)phenyl]-1-[2-[4-[methyl(oxetan-3-yl)amino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(oxolan-3-ylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(trifluoromethylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[5-[5-cyclobutylsulfanyl-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[5-cyclopentylsulfanyl-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(difluoromethylsulfanyl)phenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(difluoromethylsulfanyl)phenyl]-1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(difluoromethylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(1-methylpiperidin-3-yl)sulfanylphenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(oxan-4-ylsulfanyl)phenyl]-1-[2-[4-[methyl(oxetan-3-yl)amino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(oxolan-3-ylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(trifluoromethylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 158636798) has the molecular formula C199H176F27N59O24S9 and a molecular weight of 4579.54 g/mol. Its IUPAC name is N-[5-[5-cyclobutylsulfanyl-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[5-cyclopentylsulfanyl-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(difluoromethylsulfanyl)phenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(difluoromethylsulfanyl)phenyl]-1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(difluoromethylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(1-methylpiperidin-3-yl)sulfanylphenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(oxan-4-ylsulfanyl)phenyl]-1-[2-[4-[methyl(oxetan-3-yl)amino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(oxolan-3-ylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(trifluoromethylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[5-cyclobutylsulfanyl-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[5-cyclopentylsulfanyl-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(difluoromethylsulfanyl)phenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(difluoromethylsulfanyl)phenyl]-1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(difluoromethylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(1-methylpiperidin-3-yl)sulfanylphenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(oxan-4-ylsulfanyl)phenyl]-1-[2-[4-[methyl(oxetan-3-yl)amino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(oxolan-3-ylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(trifluoromethylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID158636798
Molecular FormulaC199H176F27N59O24S9
Molecular Weight4579.54 g/mol
Exact Mass4576.14
IUPAC NameN-[5-[5-cyclobutylsulfanyl-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[5-cyclopentylsulfanyl-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(difluoromethylsulfanyl)phenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(difluoromethylsulfanyl)phenyl]-1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(difluoromethylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(1-methylpiperidin-3-yl)sulfanylphenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(oxan-4-ylsulfanyl)phenyl]-1-[2-[4-[methyl(oxetan-3-yl)amino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(oxolan-3-ylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(trifluoromethylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(SC(F)F)ccc2OC(F)F)n1.CN(C1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(SC4CCOCC4)ccc3OC(F)F)n2)CC1)C1COC1.CN1CCCC(Sc2ccc(OC(F)F)c(-c3[nH]ncc3NC(=O)c3cnn4cccnc34)c2)C1.CNC(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(SC(F)F)ccc2OC(F)F)n1.O=C(Nc1cn[nH]c1-c1cc(SC(F)(F)F)ccc1OC(F)F)c1cnn2cccnc12.O=C(Nc1cn[nH]c1-c1cc(SC(F)F)ccc1OC(F)F)c1cnn2cccnc12.O=C(Nc1cn[nH]c1-c1cc(SC2CCC2)ccc1OC(F)F)c1cnn2cccnc12.O=C(Nc1cn[nH]c1-c1cc(SC2CCCC2)ccc1OC(F)F)c1cnn2cccnc12.O=C(Nc1cn[nH]c1-c1cc(SC2CCOC2)ccc1OC(F)F)c1cnn2cccnc12
InChIInChI=1S/C33H38F2N8O5S.C23H23F2N7O2S.C22H19F4N7O3S.C22H20F2N6O2S.C21H17F4N7O3S.C21H18F2N6O3S.C21H18F2N6O2S.C18H11F5N6O2S.C18H12F4N6O2S/c1-40(22-19-47-20-22)21-5-11-41(12-6-21)29(44)18-42-17-27(38-32(45)26-16-37-43-10-2-9-36-31(26)43)30(39-42)25-15-24(3-4-28(25)48-33(34)35)49-23-7-13-46-14-8-23;1-31-8-2-4-15(13-31)35-14-5-6-19(34-23(24)25)16(10-14)20-18(12-27-30-20)29-22(33)17-11-28-32-9-3-7-26-21(17)32;1-31(2)17(34)11-32-10-15(29-20(35)14-9-28-33-7-3-6-27-19(14)33)18(30-32)13-8-12(37-22(25)26)4-5-16(13)36-21(23)24;23-22(24)32-18-7-6-14(33-13-4-1-2-5-13)10-15(18)19-17(12-26-29-19)28-21(31)16-11-27-30-9-3-8-25-20(16)30;1-26-16(33)10-31-9-14(29-19(34)13-8-28-32-6-2-5-27-18(13)32)17(30-31)12-7-11(36-21(24)25)3-4-15(12)35-20(22)23;22-21(23)32-17-3-2-12(33-13-4-7-31-11-13)8-14(17)18-16(10-25-28-18)27-20(30)15-9-26-29-6-1-5-24-19(15)29;22-21(23)31-17-6-5-13(32-12-3-1-4-12)9-14(17)18-16(11-25-28-18)27-20(30)15-10-26-29-8-2-7-24-19(15)29;19-17(20)31-13-3-2-9(32-18(21,22)23)6-10(13)14-12(8-25-28-14)27-16(30)11-7-26-29-5-1-4-24-15(11)29;19-17(20)30-13-3-2-9(31-18(21)22)6-10(13)14-12(8-24-27-14)26-16(29)11-7-25-28-5-1-4-23-15(11)28/h2-4,9-10,15-17,21-23,33H,5-8,11-14,18-20H2,1H3,(H,38,45);3,5-7,9-12,15,23H,2,4,8,13H2,1H3,(H,27,30)(H,29,33);3-10,21-22H,11H2,1-2H3,(H,29,35);3,6-13,22H,1-2,4-5H2,(H,26,29)(H,28,31);2-9,20-21H,10H2,1H3,(H,26,33)(H,29,34);1-3,5-6,8-10,13,21H,4,7,11H2,(H,25,28)(H,27,30);2,5-12,21H,1,3-4H2,(H,25,28)(H,27,30);1-8,17H,(H,25,28)(H,27,30);1-8,17-18H,(H,24,27)(H,26,29)
InChIKeyHZWHQMBNNUOJPA-UHFFFAOYSA-N
XLogP37.91
TPSA946.11 Ų
H-Bond Donors16
H-Bond Acceptors74
Rotatable Bonds70
Heavy Atoms318
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004579.54
LogP ≤ 537.91
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1074

Analyze N-[5-[5-cyclobutylsulfanyl-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[5-cyclopentylsulfanyl-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(difluoromethylsulfanyl)phenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(difluoromethylsulfanyl)phenyl]-1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(difluoromethylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(1-methylpiperidin-3-yl)sulfanylphenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(oxan-4-ylsulfanyl)phenyl]-1-[2-[4-[methyl(oxetan-3-yl)amino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(oxolan-3-ylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(trifluoromethylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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What is the IUPAC name of N-[5-[5-cyclobutylsulfanyl-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[5-cyclopentylsulfanyl-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(difluoromethylsulfanyl)phenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(difluoromethylsulfanyl)phenyl]-1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(difluoromethylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(1-methylpiperidin-3-yl)sulfanylphenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(oxan-4-ylsulfanyl)phenyl]-1-[2-[4-[methyl(oxetan-3-yl)amino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(oxolan-3-ylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(trifluoromethylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[5-[5-cyclobutylsulfanyl-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[5-cyclopentylsulfanyl-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(difluoromethylsulfanyl)phenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(difluoromethylsulfanyl)phenyl]-1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(difluoromethylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(1-methylpiperidin-3-yl)sulfanylphenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(oxan-4-ylsulfanyl)phenyl]-1-[2-[4-[methyl(oxetan-3-yl)amino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(oxolan-3-ylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(trifluoromethylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 158636798) is N-[5-[5-cyclobutylsulfanyl-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[5-cyclopentylsulfanyl-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(difluoromethylsulfanyl)phenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(difluoromethylsulfanyl)phenyl]-1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(difluoromethylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(1-methylpiperidin-3-yl)sulfanylphenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(oxan-4-ylsulfanyl)phenyl]-1-[2-[4-[methyl(oxetan-3-yl)amino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(oxolan-3-ylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(trifluoromethylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[5-[5-cyclobutylsulfanyl-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[5-cyclopentylsulfanyl-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(difluoromethylsulfanyl)phenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(difluoromethylsulfanyl)phenyl]-1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(difluoromethylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(1-methylpiperidin-3-yl)sulfanylphenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(oxan-4-ylsulfanyl)phenyl]-1-[2-[4-[methyl(oxetan-3-yl)amino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(oxolan-3-ylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(trifluoromethylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[5-[5-cyclobutylsulfanyl-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[5-cyclopentylsulfanyl-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(difluoromethylsulfanyl)phenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(difluoromethylsulfanyl)phenyl]-1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(difluoromethylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(1-methylpiperidin-3-yl)sulfanylphenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(oxan-4-ylsulfanyl)phenyl]-1-[2-[4-[methyl(oxetan-3-yl)amino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(oxolan-3-ylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(trifluoromethylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN(C)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(SC(F)F)ccc2OC(F)F)n1.CN(C1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(SC4CCOCC4)ccc3OC(F)F)n2)CC1)C1COC1.CN1CCCC(Sc2ccc(OC(F)F)c(-c3[nH]ncc3NC(=O)c3cnn4cccnc34)c2)C1.CNC(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(SC(F)F)ccc2OC(F)F)n1.O=C(Nc1cn[nH]c1-c1cc(SC(F)(F)F)ccc1OC(F)F)c1cnn2cccnc12.O=C(Nc1cn[nH]c1-c1cc(SC(F)F)ccc1OC(F)F)c1cnn2cccnc12.O=C(Nc1cn[nH]c1-c1cc(SC2CCC2)ccc1OC(F)F)c1cnn2cccnc12.O=C(Nc1cn[nH]c1-c1cc(SC2CCCC2)ccc1OC(F)F)c1cnn2cccnc12.O=C(Nc1cn[nH]c1-c1cc(SC2CCOC2)ccc1OC(F)F)c1cnn2cccnc12.
What is the InChIKey of N-[5-[5-cyclobutylsulfanyl-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[5-cyclopentylsulfanyl-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(difluoromethylsulfanyl)phenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(difluoromethylsulfanyl)phenyl]-1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(difluoromethylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(1-methylpiperidin-3-yl)sulfanylphenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(oxan-4-ylsulfanyl)phenyl]-1-[2-[4-[methyl(oxetan-3-yl)amino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(oxolan-3-ylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(trifluoromethylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is HZWHQMBNNUOJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38F2N8O5S.C23H23F2N7O2S.C22H19F4N7O3S.C22H20F2N6O2S.C21H17F4N7O3S.C21H18F2N6O3S.C21H18F2N6O2S.C18H11F5N6O2S.C18H12F4N6O2S/c1-40(22-19-47-20-22)21-5-11-41(12-6-21)29(44)18-42-17-27(38-32(45)26-16-37-43-10-2-9-36-31(26)43)30(39-42)25-15-24(3-4-28(25)48-33(34)35)49-23-7-13-46-14-8-23;1-31-8-2-4-15(13-31)35-14-5-6-19(34-23(24)25)16(10-14)20-18(12-27-30-20)29-22(33)17-11-28-32-9-3-7-26-21(17)32;1-31(2)17(34)11-32-10-15(29-20(35)14-9-28-33-7-3-6-27-19(14)33)18(30-32)13-8-12(37-22(25)26)4-5-16(13)36-21(23)24;23-22(24)32-18-7-6-14(33-13-4-1-2-5-13)10-15(18)19-17(12-26-29-19)28-21(31)16-11-27-30-9-3-8-25-20(16)30;1-26-16(33)10-31-9-14(29-19(34)13-8-28-32-6-2-5-27-18(13)32)17(30-31)12-7-11(36-21(24)25)3-4-15(12)35-20(22)23;22-21(23)32-17-3-2-12(33-13-4-7-31-11-13)8-14(17)18-16(10-25-28-18)27-20(30)15-9-26-29-6-1-5-24-19(15)29;22-21(23)31-17-6-5-13(32-12-3-1-4-12)9-14(17)18-16(11-25-28-18)27-20(30)15-10-26-29-8-2-7-24-19(15)29;19-17(20)31-13-3-2-9(32-18(21,22)23)6-10(13)14-12(8-25-28-14)27-16(30)11-7-26-29-5-1-4-24-15(11)29;19-17(20)30-13-3-2-9(31-18(21)22)6-10(13)14-12(8-24-27-14)26-16(29)11-7-25-28-5-1-4-23-15(11)28/h2-4,9-10,15-17,21-23,33H,5-8,11-14,18-20H2,1H3,(H,38,45);3,5-7,9-12,15,23H,2,4,8,13H2,1H3,(H,27,30)(H,29,33);3-10,21-22H,11H2,1-2H3,(H,29,35);3,6-13,22H,1-2,4-5H2,(H,26,29)(H,28,31);2-9,20-21H,10H2,1H3,(H,26,33)(H,29,34);1-3,5-6,8-10,13,21H,4,7,11H2,(H,25,28)(H,27,30);2,5-12,21H,1,3-4H2,(H,25,28)(H,27,30);1-8,17H,(H,25,28)(H,27,30);1-8,17-18H,(H,24,27)(H,26,29).
What are the key properties of N-[5-[5-cyclobutylsulfanyl-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[5-cyclopentylsulfanyl-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(difluoromethylsulfanyl)phenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(difluoromethylsulfanyl)phenyl]-1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(difluoromethylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(1-methylpiperidin-3-yl)sulfanylphenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(oxan-4-ylsulfanyl)phenyl]-1-[2-[4-[methyl(oxetan-3-yl)amino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(oxolan-3-ylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(trifluoromethylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[5-[5-cyclobutylsulfanyl-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[5-cyclopentylsulfanyl-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(difluoromethylsulfanyl)phenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(difluoromethylsulfanyl)phenyl]-1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(difluoromethylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(1-methylpiperidin-3-yl)sulfanylphenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(oxan-4-ylsulfanyl)phenyl]-1-[2-[4-[methyl(oxetan-3-yl)amino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(oxolan-3-ylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(trifluoromethylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 4579.54 g/mol, XLogP of 37.91, 70 rotatable bonds, 16 hydrogen bond donors, and 74 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-cyclobutylsulfanyl-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[5-cyclopentylsulfanyl-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(difluoromethylsulfanyl)phenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(difluoromethylsulfanyl)phenyl]-1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(difluoromethylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(1-methylpiperidin-3-yl)sulfanylphenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(oxan-4-ylsulfanyl)phenyl]-1-[2-[4-[methyl(oxetan-3-yl)amino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(oxolan-3-ylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(trifluoromethylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 158636798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).