N-[1-(2-amino-2-oxoethyl)-3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[5-cyclohexylsulfanyl-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(1-hydroxypropan-2-ylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-(2-oxo-2-piperidin-1-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(oxan-4-ylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(oxetan-3-ylsulfanyl)phenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(oxetan-3-ylsulfanyl)phenyl]-1-(2-oxo-2-piperidin-1-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(2,2,2-trifluoroethylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C180H165F19N52O24S8 — CID 157373472

IUPACN-[1-(2-amino-2-oxoethyl)-3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[5-cyclohexylsulfanyl-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(1-hydroxypropan-2-ylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-(2-oxo-2-piperidin-1-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(oxan-4-ylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(oxetan-3-ylsulfanyl)phenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(oxetan-3-ylsulfanyl)phenyl]-1-(2-oxo-2-piperidin-1-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(2,2,2-trifluoroethylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(CO)Sc1ccc(OC(F)F)c(-c2[nH]ncc2NC(=O)c2cnn3cccnc23)c1.CN(C)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(SC3COC3)ccc2OC(F)F)n1.CSc1ccc(OC(F)F)c(-c2nn(CC(=O)N3CCCCC3)cc2NC(=O)c2cnn3cccnc23)c1.CSc1ccc(OC(F)F)c(-c2nn(CC(N)=O)cc2NC(=O)c2cnn3cccnc23)c1.O=C(Nc1cn(CC(=O)N2CCCCC2)nc1-c1cc(SC2COC2)ccc1OC(F)F)c1cnn2cccnc12.O=C(Nc1cn[nH]c1-c1cc(SC2CCCCC2)ccc1OC(F)F)c1cnn2cccnc12.O=C(Nc1cn[nH]c1-c1cc(SC2CCOCC2)ccc1OC(F)F)c1cnn2cccnc12.O=C(Nc1cn[nH]c1-c1cc(SCC(F)(F)F)ccc1OC(F)F)c1cnn2cccnc12
InChIInChI=1S/C27H27F2N7O4S.C25H25F2N7O3S.C24H23F2N7O4S.C23H22F2N6O2S.C22H20F2N6O3S.C20H17F2N7O3S.C20H18F2N6O3S.C19H13F5N6O2S/c28-27(29)40-22-6-5-17(41-18-15-39-16-18)11-19(22)24-21(13-35(33-24)14-23(37)34-8-2-1-3-9-34)32-26(38)20-12-31-36-10-4-7-30-25(20)36;1-38-16-6-7-20(37-25(26)27)17(12-16)22-19(14-33(31-22)15-21(35)32-9-3-2-4-10-32)30-24(36)18-13-29-34-11-5-8-28-23(18)34;1-31(2)20(34)11-32-10-18(29-23(35)17-9-28-33-7-3-6-27-22(17)33)21(30-32)16-8-14(38-15-12-36-13-15)4-5-19(16)37-24(25)26;24-23(25)33-19-8-7-15(34-14-5-2-1-3-6-14)11-16(19)20-18(13-27-30-20)29-22(32)17-12-28-31-10-4-9-26-21(17)31;23-22(24)33-18-3-2-14(34-13-4-8-32-9-5-13)10-15(18)19-17(12-26-29-19)28-21(31)16-11-27-30-7-1-6-25-20(16)30;1-33-11-3-4-15(32-20(21)22)12(7-11)17-14(9-28(27-17)10-16(23)30)26-19(31)13-8-25-29-6-2-5-24-18(13)29;1-11(10-29)32-12-3-4-16(31-20(21)22)13(7-12)17-15(9-24-27-17)26-19(30)14-8-25-28-6-2-5-23-18(14)28;20-18(21)32-14-3-2-10(33-9-19(22,23)24)6-11(14)15-13(8-26-29-15)28-17(31)12-7-27-30-5-1-4-25-16(12)30/h4-7,10-13,18,27H,1-3,8-9,14-16H2,(H,32,38);5-8,11-14,25H,2-4,9-10,15H2,1H3,(H,30,36);3-10,15,24H,11-13H2,1-2H3,(H,29,35);4,7-14,23H,1-3,5-6H2,(H,27,30)(H,29,32);1-3,6-7,10-13,22H,4-5,8-9H2,(H,26,29)(H,28,31);2-9,20H,10H2,1H3,(H2,23,30)(H,26,31);2-9,11,20,29H,10H2,1H3,(H,24,27)(H,26,30);1-8,18H,9H2,(H,26,29)(H,28,31)
InChIKeyBKAQKCIKJZLVKN-UHFFFAOYSA-N
MW4058.14 g/mol
LogP31.53
Rot. Bonds63

About N-[1-(2-amino-2-oxoethyl)-3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[5-cyclohexylsulfanyl-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(1-hydroxypropan-2-ylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-(2-oxo-2-piperidin-1-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(oxan-4-ylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(oxetan-3-ylsulfanyl)phenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(oxetan-3-ylsulfanyl)phenyl]-1-(2-oxo-2-piperidin-1-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(2,2,2-trifluoroethylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[1-(2-amino-2-oxoethyl)-3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[5-cyclohexylsulfanyl-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(1-hydroxypropan-2-ylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-(2-oxo-2-piperidin-1-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(oxan-4-ylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(oxetan-3-ylsulfanyl)phenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(oxetan-3-ylsulfanyl)phenyl]-1-(2-oxo-2-piperidin-1-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(2,2,2-trifluoroethylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 157373472) has the molecular formula C180H165F19N52O24S8 and a molecular weight of 4058.14 g/mol. Its IUPAC name is N-[1-(2-amino-2-oxoethyl)-3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[5-cyclohexylsulfanyl-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(1-hydroxypropan-2-ylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-(2-oxo-2-piperidin-1-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(oxan-4-ylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(oxetan-3-ylsulfanyl)phenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(oxetan-3-ylsulfanyl)phenyl]-1-(2-oxo-2-piperidin-1-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(2,2,2-trifluoroethylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-oxoethyl)-3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[5-cyclohexylsulfanyl-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(1-hydroxypropan-2-ylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-(2-oxo-2-piperidin-1-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(oxan-4-ylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(oxetan-3-ylsulfanyl)phenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(oxetan-3-ylsulfanyl)phenyl]-1-(2-oxo-2-piperidin-1-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(2,2,2-trifluoroethylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID157373472
Molecular FormulaC180H165F19N52O24S8
Molecular Weight4058.14 g/mol
Exact Mass4055.08
IUPAC NameN-[1-(2-amino-2-oxoethyl)-3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[5-cyclohexylsulfanyl-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(1-hydroxypropan-2-ylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-(2-oxo-2-piperidin-1-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(oxan-4-ylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(oxetan-3-ylsulfanyl)phenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(oxetan-3-ylsulfanyl)phenyl]-1-(2-oxo-2-piperidin-1-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(2,2,2-trifluoroethylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(CO)Sc1ccc(OC(F)F)c(-c2[nH]ncc2NC(=O)c2cnn3cccnc23)c1.CN(C)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(SC3COC3)ccc2OC(F)F)n1.CSc1ccc(OC(F)F)c(-c2nn(CC(=O)N3CCCCC3)cc2NC(=O)c2cnn3cccnc23)c1.CSc1ccc(OC(F)F)c(-c2nn(CC(N)=O)cc2NC(=O)c2cnn3cccnc23)c1.O=C(Nc1cn(CC(=O)N2CCCCC2)nc1-c1cc(SC2COC2)ccc1OC(F)F)c1cnn2cccnc12.O=C(Nc1cn[nH]c1-c1cc(SC2CCCCC2)ccc1OC(F)F)c1cnn2cccnc12.O=C(Nc1cn[nH]c1-c1cc(SC2CCOCC2)ccc1OC(F)F)c1cnn2cccnc12.O=C(Nc1cn[nH]c1-c1cc(SCC(F)(F)F)ccc1OC(F)F)c1cnn2cccnc12
InChIInChI=1S/C27H27F2N7O4S.C25H25F2N7O3S.C24H23F2N7O4S.C23H22F2N6O2S.C22H20F2N6O3S.C20H17F2N7O3S.C20H18F2N6O3S.C19H13F5N6O2S/c28-27(29)40-22-6-5-17(41-18-15-39-16-18)11-19(22)24-21(13-35(33-24)14-23(37)34-8-2-1-3-9-34)32-26(38)20-12-31-36-10-4-7-30-25(20)36;1-38-16-6-7-20(37-25(26)27)17(12-16)22-19(14-33(31-22)15-21(35)32-9-3-2-4-10-32)30-24(36)18-13-29-34-11-5-8-28-23(18)34;1-31(2)20(34)11-32-10-18(29-23(35)17-9-28-33-7-3-6-27-22(17)33)21(30-32)16-8-14(38-15-12-36-13-15)4-5-19(16)37-24(25)26;24-23(25)33-19-8-7-15(34-14-5-2-1-3-6-14)11-16(19)20-18(13-27-30-20)29-22(32)17-12-28-31-10-4-9-26-21(17)31;23-22(24)33-18-3-2-14(34-13-4-8-32-9-5-13)10-15(18)19-17(12-26-29-19)28-21(31)16-11-27-30-7-1-6-25-20(16)30;1-33-11-3-4-15(32-20(21)22)12(7-11)17-14(9-28(27-17)10-16(23)30)26-19(31)13-8-25-29-6-2-5-24-18(13)29;1-11(10-29)32-12-3-4-16(31-20(21)22)13(7-12)17-15(9-24-27-17)26-19(30)14-8-25-28-6-2-5-23-18(14)28;20-18(21)32-14-3-2-10(33-9-19(22,23)24)6-11(14)15-13(8-26-29-15)28-17(31)12-7-27-30-5-1-4-25-16(12)30/h4-7,10-13,18,27H,1-3,8-9,14-16H2,(H,32,38);5-8,11-14,25H,2-4,9-10,15H2,1H3,(H,30,36);3-10,15,24H,11-13H2,1-2H3,(H,29,35);4,7-14,23H,1-3,5-6H2,(H,27,30)(H,29,32);1-3,6-7,10-13,22H,4-5,8-9H2,(H,26,29)(H,28,31);2-9,20H,10H2,1H3,(H2,23,30)(H,26,31);2-9,11,20,29H,10H2,1H3,(H,24,27)(H,26,30);1-8,18H,9H2,(H,26,29)(H,28,31)
InChIKeyBKAQKCIKJZLVKN-UHFFFAOYSA-N
XLogP31.53
TPSA886.10 Ų
H-Bond Donors14
H-Bond Acceptors68
Rotatable Bonds63
Heavy Atoms283
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004058.14
LogP ≤ 531.53
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1068

Analyze N-[1-(2-amino-2-oxoethyl)-3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[5-cyclohexylsulfanyl-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(1-hydroxypropan-2-ylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-(2-oxo-2-piperidin-1-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(oxan-4-ylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(oxetan-3-ylsulfanyl)phenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(oxetan-3-ylsulfanyl)phenyl]-1-(2-oxo-2-piperidin-1-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(2,2,2-trifluoroethylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-oxoethyl)-3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[5-cyclohexylsulfanyl-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(1-hydroxypropan-2-ylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-(2-oxo-2-piperidin-1-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(oxan-4-ylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(oxetan-3-ylsulfanyl)phenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(oxetan-3-ylsulfanyl)phenyl]-1-(2-oxo-2-piperidin-1-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(2,2,2-trifluoroethylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[1-(2-amino-2-oxoethyl)-3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[5-cyclohexylsulfanyl-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(1-hydroxypropan-2-ylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-(2-oxo-2-piperidin-1-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(oxan-4-ylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(oxetan-3-ylsulfanyl)phenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(oxetan-3-ylsulfanyl)phenyl]-1-(2-oxo-2-piperidin-1-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(2,2,2-trifluoroethylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 157373472) is N-[1-(2-amino-2-oxoethyl)-3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[5-cyclohexylsulfanyl-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(1-hydroxypropan-2-ylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-(2-oxo-2-piperidin-1-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(oxan-4-ylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(oxetan-3-ylsulfanyl)phenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(oxetan-3-ylsulfanyl)phenyl]-1-(2-oxo-2-piperidin-1-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(2,2,2-trifluoroethylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[1-(2-amino-2-oxoethyl)-3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[5-cyclohexylsulfanyl-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(1-hydroxypropan-2-ylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-(2-oxo-2-piperidin-1-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(oxan-4-ylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(oxetan-3-ylsulfanyl)phenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(oxetan-3-ylsulfanyl)phenyl]-1-(2-oxo-2-piperidin-1-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(2,2,2-trifluoroethylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[1-(2-amino-2-oxoethyl)-3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[5-cyclohexylsulfanyl-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(1-hydroxypropan-2-ylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-(2-oxo-2-piperidin-1-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(oxan-4-ylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(oxetan-3-ylsulfanyl)phenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(oxetan-3-ylsulfanyl)phenyl]-1-(2-oxo-2-piperidin-1-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(2,2,2-trifluoroethylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(CO)Sc1ccc(OC(F)F)c(-c2[nH]ncc2NC(=O)c2cnn3cccnc23)c1.CN(C)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(SC3COC3)ccc2OC(F)F)n1.CSc1ccc(OC(F)F)c(-c2nn(CC(=O)N3CCCCC3)cc2NC(=O)c2cnn3cccnc23)c1.CSc1ccc(OC(F)F)c(-c2nn(CC(N)=O)cc2NC(=O)c2cnn3cccnc23)c1.O=C(Nc1cn(CC(=O)N2CCCCC2)nc1-c1cc(SC2COC2)ccc1OC(F)F)c1cnn2cccnc12.O=C(Nc1cn[nH]c1-c1cc(SC2CCCCC2)ccc1OC(F)F)c1cnn2cccnc12.O=C(Nc1cn[nH]c1-c1cc(SC2CCOCC2)ccc1OC(F)F)c1cnn2cccnc12.O=C(Nc1cn[nH]c1-c1cc(SCC(F)(F)F)ccc1OC(F)F)c1cnn2cccnc12.
What is the InChIKey of N-[1-(2-amino-2-oxoethyl)-3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[5-cyclohexylsulfanyl-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(1-hydroxypropan-2-ylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-(2-oxo-2-piperidin-1-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(oxan-4-ylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(oxetan-3-ylsulfanyl)phenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(oxetan-3-ylsulfanyl)phenyl]-1-(2-oxo-2-piperidin-1-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(2,2,2-trifluoroethylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is BKAQKCIKJZLVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F2N7O4S.C25H25F2N7O3S.C24H23F2N7O4S.C23H22F2N6O2S.C22H20F2N6O3S.C20H17F2N7O3S.C20H18F2N6O3S.C19H13F5N6O2S/c28-27(29)40-22-6-5-17(41-18-15-39-16-18)11-19(22)24-21(13-35(33-24)14-23(37)34-8-2-1-3-9-34)32-26(38)20-12-31-36-10-4-7-30-25(20)36;1-38-16-6-7-20(37-25(26)27)17(12-16)22-19(14-33(31-22)15-21(35)32-9-3-2-4-10-32)30-24(36)18-13-29-34-11-5-8-28-23(18)34;1-31(2)20(34)11-32-10-18(29-23(35)17-9-28-33-7-3-6-27-22(17)33)21(30-32)16-8-14(38-15-12-36-13-15)4-5-19(16)37-24(25)26;24-23(25)33-19-8-7-15(34-14-5-2-1-3-6-14)11-16(19)20-18(13-27-30-20)29-22(32)17-12-28-31-10-4-9-26-21(17)31;23-22(24)33-18-3-2-14(34-13-4-8-32-9-5-13)10-15(18)19-17(12-26-29-19)28-21(31)16-11-27-30-7-1-6-25-20(16)30;1-33-11-3-4-15(32-20(21)22)12(7-11)17-14(9-28(27-17)10-16(23)30)26-19(31)13-8-25-29-6-2-5-24-18(13)29;1-11(10-29)32-12-3-4-16(31-20(21)22)13(7-12)17-15(9-24-27-17)26-19(30)14-8-25-28-6-2-5-23-18(14)28;20-18(21)32-14-3-2-10(33-9-19(22,23)24)6-11(14)15-13(8-26-29-15)28-17(31)12-7-27-30-5-1-4-25-16(12)30/h4-7,10-13,18,27H,1-3,8-9,14-16H2,(H,32,38);5-8,11-14,25H,2-4,9-10,15H2,1H3,(H,30,36);3-10,15,24H,11-13H2,1-2H3,(H,29,35);4,7-14,23H,1-3,5-6H2,(H,27,30)(H,29,32);1-3,6-7,10-13,22H,4-5,8-9H2,(H,26,29)(H,28,31);2-9,20H,10H2,1H3,(H2,23,30)(H,26,31);2-9,11,20,29H,10H2,1H3,(H,24,27)(H,26,30);1-8,18H,9H2,(H,26,29)(H,28,31).
What are the key properties of N-[1-(2-amino-2-oxoethyl)-3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[5-cyclohexylsulfanyl-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(1-hydroxypropan-2-ylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-(2-oxo-2-piperidin-1-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(oxan-4-ylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(oxetan-3-ylsulfanyl)phenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(oxetan-3-ylsulfanyl)phenyl]-1-(2-oxo-2-piperidin-1-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(2,2,2-trifluoroethylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[1-(2-amino-2-oxoethyl)-3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[5-cyclohexylsulfanyl-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(1-hydroxypropan-2-ylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-(2-oxo-2-piperidin-1-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(oxan-4-ylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(oxetan-3-ylsulfanyl)phenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(oxetan-3-ylsulfanyl)phenyl]-1-(2-oxo-2-piperidin-1-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(2,2,2-trifluoroethylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 4058.14 g/mol, XLogP of 31.53, 63 rotatable bonds, 14 hydrogen bond donors, and 68 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-oxoethyl)-3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[5-cyclohexylsulfanyl-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(1-hydroxypropan-2-ylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-(2-oxo-2-piperidin-1-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(oxan-4-ylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(oxetan-3-ylsulfanyl)phenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(oxetan-3-ylsulfanyl)phenyl]-1-(2-oxo-2-piperidin-1-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[2-(difluoromethoxy)-5-(2,2,2-trifluoroethylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 157373472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).