N-[4-(cyclopropylsulfonylmethyl)cyclohexyl]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;1-[4-hydroxy-4-[[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]piperidin-1-yl]ethanone;2-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]ethanesulfonamide;1,1,1-trifluoro-3-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]propan-2-ol

C95H105F3N30O7S2 — CID 159876955

IUPACN-[4-(cyclopropylsulfonylmethyl)cyclohexyl]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;1-[4-hydroxy-4-[[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]piperidin-1-yl]ethanone;2-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]ethanesulfonamide;1,1,1-trifluoro-3-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]propan-2-ol
SMILESCC(=O)N1CCC(O)(CNc2nc(-c3cccc(-c4cnn(C)c4)c3)ncc2-c2cnn(C)c2)CC1.Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NC4CCC(CS(=O)(=O)C5CC5)CC4)n3)c2)cn1.Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NCC(O)C(F)(F)F)n3)c2)cn1.Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NCCS(N)(=O)=O)n3)c2)cn1
InChIInChI=1S/C28H33N7O2S.C26H30N8O2.C21H20F3N7O.C20H22N8O2S/c1-34-16-22(13-30-34)20-4-3-5-21(12-20)27-29-15-26(23-14-31-35(2)17-23)28(33-27)32-24-8-6-19(7-9-24)18-38(36,37)25-10-11-25;1-18(35)34-9-7-26(36,8-10-34)17-28-25-23(22-13-30-33(3)16-22)14-27-24(31-25)20-6-4-5-19(11-20)21-12-29-32(2)15-21;1-30-11-15(7-27-30)13-4-3-5-14(6-13)19-25-9-17(16-8-28-31(2)12-16)20(29-19)26-10-18(32)21(22,23)24;1-27-12-16(9-24-27)14-4-3-5-15(8-14)19-23-11-18(17-10-25-28(2)13-17)20(26-19)22-6-7-31(21,29)30/h3-5,12-17,19,24-25H,6-11,18H2,1-2H3,(H,29,32,33);4-6,11-16,36H,7-10,17H2,1-3H3,(H,27,28,31);3-9,11-12,18,32H,10H2,1-2H3,(H,25,26,29);3-5,8-13H,6-7H2,1-2H3,(H2,21,29,30)(H,22,23,26)
InChIKeyNTAISQQDAKMAHL-UHFFFAOYSA-N
MW1900.22 g/mol
LogP12.15
Rot. Bonds27

About N-[4-(cyclopropylsulfonylmethyl)cyclohexyl]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;1-[4-hydroxy-4-[[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]piperidin-1-yl]ethanone;2-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]ethanesulfonamide;1,1,1-trifluoro-3-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]propan-2-ol

N-[4-(cyclopropylsulfonylmethyl)cyclohexyl]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;1-[4-hydroxy-4-[[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]piperidin-1-yl]ethanone;2-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]ethanesulfonamide;1,1,1-trifluoro-3-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]propan-2-ol (PubChem CID 159876955) has the molecular formula C95H105F3N30O7S2 and a molecular weight of 1900.22 g/mol. Its IUPAC name is N-[4-(cyclopropylsulfonylmethyl)cyclohexyl]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;1-[4-hydroxy-4-[[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]piperidin-1-yl]ethanone;2-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]ethanesulfonamide;1,1,1-trifluoro-3-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]propan-2-ol.

Molecular Properties

Compound NameN-[4-(cyclopropylsulfonylmethyl)cyclohexyl]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;1-[4-hydroxy-4-[[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]piperidin-1-yl]ethanone;2-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]ethanesulfonamide;1,1,1-trifluoro-3-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]propan-2-ol
PubChem CID159876955
Molecular FormulaC95H105F3N30O7S2
Molecular Weight1900.22 g/mol
Exact Mass1898.82
IUPAC NameN-[4-(cyclopropylsulfonylmethyl)cyclohexyl]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;1-[4-hydroxy-4-[[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]piperidin-1-yl]ethanone;2-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]ethanesulfonamide;1,1,1-trifluoro-3-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]propan-2-ol
SMILESCC(=O)N1CCC(O)(CNc2nc(-c3cccc(-c4cnn(C)c4)c3)ncc2-c2cnn(C)c2)CC1.Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NC4CCC(CS(=O)(=O)C5CC5)CC4)n3)c2)cn1.Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NCC(O)C(F)(F)F)n3)c2)cn1.Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NCCS(N)(=O)=O)n3)c2)cn1
InChIInChI=1S/C28H33N7O2S.C26H30N8O2.C21H20F3N7O.C20H22N8O2S/c1-34-16-22(13-30-34)20-4-3-5-21(12-20)27-29-15-26(23-14-31-35(2)17-23)28(33-27)32-24-8-6-19(7-9-24)18-38(36,37)25-10-11-25;1-18(35)34-9-7-26(36,8-10-34)17-28-25-23(22-13-30-33(3)16-22)14-27-24(31-25)20-6-4-5-19(11-20)21-12-29-32(2)15-21;1-30-11-15(7-27-30)13-4-3-5-14(6-13)19-25-9-17(16-8-28-31(2)12-16)20(29-19)26-10-18(32)21(22,23)24;1-27-12-16(9-24-27)14-4-3-5-15(8-14)19-23-11-18(17-10-25-28(2)13-17)20(26-19)22-6-7-31(21,29)30/h3-5,12-17,19,24-25H,6-11,18H2,1-2H3,(H,29,32,33);4-6,11-16,36H,7-10,17H2,1-3H3,(H,27,28,31);3-9,11-12,18,32H,10H2,1-2H3,(H,25,26,29);3-5,8-13H,6-7H2,1-2H3,(H2,21,29,30)(H,22,23,26)
InChIKeyNTAISQQDAKMAHL-UHFFFAOYSA-N
XLogP12.15
TPSA448.87 Ų
H-Bond Donors7
H-Bond Acceptors35
Rotatable Bonds27
Heavy Atoms137
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001900.22
LogP ≤ 512.15
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1035

Analyze N-[4-(cyclopropylsulfonylmethyl)cyclohexyl]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;1-[4-hydroxy-4-[[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]piperidin-1-yl]ethanone;2-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]ethanesulfonamide;1,1,1-trifluoro-3-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]propan-2-ol with MolForge

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Related Compounds

N-[4-(cyclopropylsulfonylmethyl)cyclohexyl]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;1-[4-hydroxy-4-[[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]piperidin-1-yl]ethanone;1,1,1-trifluoro-3-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]propan-2-ol
CID 157385322
N-(2,2,3,3,4,4,4-heptafluorobutyl)-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[1-(1-methylsulfonylpiperidin-4-yl)ethyl]pyrimidin-4-amine;(1S,2R,3S)-3-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]cyclopentane-1,2-diol;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 157949605
5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(oxan-3-ylmethyl)pyrimidin-4-amine;2-[3-(1-methylpyrazol-4-yl)phenyl]-5-(6-methyl-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)pyrimidin-4-amine;1,1,1-trifluoro-3-[[2-[3-(1-methylpyrazol-4-yl)phenyl]-5-(5-methyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-yl]amino]propan-2-ol
CID 158054802
(3S)-5,5-difluoro-1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]piperidin-3-amine;(3R)-5,5-difluoro-1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]piperidin-3-amine;(1S,2S,6S)-2-fluoro-6-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[3-(methylsulfonimidoyl)propyl]pyrimidin-4-amine
CID 158490366
(3R)-5,5-difluoro-1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]piperidin-3-amine;(1R,2S,6S)-2-(methylamino)-6-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[3-(methylsulfonimidoyl)propyl]pyrimidin-4-amine
CID 159043681
N-(4,4-difluorocyclohexyl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-5-(5-methyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(3-methylsulfonylpropyl)pyrimidin-4-amine;bis(N-[[3-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]cyclobutyl]methyl]acetamide)
CID 159549826
N-(2,2,3,3,4,4,4-heptafluorobutyl)-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[1-(1-methylsulfonylpiperidin-4-yl)ethyl]pyrimidin-4-amine;(1S,2R,3S)-3-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]cyclopentane-1,2-diol
CID 159788867
5-[1-[(3R)-3-(3,3-difluoropiperidin-1-yl)cyclohexyl]pyrazol-4-yl]-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidine;N-[(1R,3R)-3-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]cyclohexyl]methanesulfonamide;[4-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]piperidin-3-yl]methanol
CID 161455383
N-[(3,3-difluorocyclobutyl)methyl]-5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;3-[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]cyclobutan-1-ol;(2R)-3-[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]propane-1,2-diol
CID 161802702
N-[1-[[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]cyclohexyl]acetamide;1-[4-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]piperidin-1-yl]ethanone;2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[4-(methylsulfonylmethyl)cyclohexyl]-5-(5-methyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-amine
CID 157415525
N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;3-[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]cyclobutan-1-ol;(2S)-3-[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]propane-1,2-diol
CID 157450598
[(3S)-3-hydroxypyrrolidin-1-yl]-[5-[2-[3-(1-methylpyrazol-4-yl)phenyl]-4-(propan-2-ylamino)pyrimidin-5-yl]-1,3,4-thiadiazol-2-yl]methanone;methyl 5-[2-[3-(1-methylpyrazol-4-yl)phenyl]-4-(piperidin-3-ylamino)pyrimidin-5-yl]-1,3,4-thiadiazole-2-carboxylate;2-[3-(1-methylpyrazol-4-yl)phenyl]-5-(5-methyl-1,3,4-thiadiazol-2-yl)-N-piperidin-3-ylpyrimidin-4-amine
CID 157467577

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylsulfonylmethyl)cyclohexyl]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;1-[4-hydroxy-4-[[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]piperidin-1-yl]ethanone;2-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]ethanesulfonamide;1,1,1-trifluoro-3-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]propan-2-ol?
The IUPAC name of N-[4-(cyclopropylsulfonylmethyl)cyclohexyl]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;1-[4-hydroxy-4-[[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]piperidin-1-yl]ethanone;2-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]ethanesulfonamide;1,1,1-trifluoro-3-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]propan-2-ol (CID 159876955) is N-[4-(cyclopropylsulfonylmethyl)cyclohexyl]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;1-[4-hydroxy-4-[[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]piperidin-1-yl]ethanone;2-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]ethanesulfonamide;1,1,1-trifluoro-3-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]propan-2-ol.
What is the SMILES notation for N-[4-(cyclopropylsulfonylmethyl)cyclohexyl]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;1-[4-hydroxy-4-[[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]piperidin-1-yl]ethanone;2-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]ethanesulfonamide;1,1,1-trifluoro-3-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]propan-2-ol?
The canonical SMILES for N-[4-(cyclopropylsulfonylmethyl)cyclohexyl]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;1-[4-hydroxy-4-[[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]piperidin-1-yl]ethanone;2-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]ethanesulfonamide;1,1,1-trifluoro-3-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]propan-2-ol is CC(=O)N1CCC(O)(CNc2nc(-c3cccc(-c4cnn(C)c4)c3)ncc2-c2cnn(C)c2)CC1.Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NC4CCC(CS(=O)(=O)C5CC5)CC4)n3)c2)cn1.Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NCC(O)C(F)(F)F)n3)c2)cn1.Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NCCS(N)(=O)=O)n3)c2)cn1.
What is the InChIKey of N-[4-(cyclopropylsulfonylmethyl)cyclohexyl]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;1-[4-hydroxy-4-[[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]piperidin-1-yl]ethanone;2-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]ethanesulfonamide;1,1,1-trifluoro-3-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]propan-2-ol?
The InChIKey is NTAISQQDAKMAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N7O2S.C26H30N8O2.C21H20F3N7O.C20H22N8O2S/c1-34-16-22(13-30-34)20-4-3-5-21(12-20)27-29-15-26(23-14-31-35(2)17-23)28(33-27)32-24-8-6-19(7-9-24)18-38(36,37)25-10-11-25;1-18(35)34-9-7-26(36,8-10-34)17-28-25-23(22-13-30-33(3)16-22)14-27-24(31-25)20-6-4-5-19(11-20)21-12-29-32(2)15-21;1-30-11-15(7-27-30)13-4-3-5-14(6-13)19-25-9-17(16-8-28-31(2)12-16)20(29-19)26-10-18(32)21(22,23)24;1-27-12-16(9-24-27)14-4-3-5-15(8-14)19-23-11-18(17-10-25-28(2)13-17)20(26-19)22-6-7-31(21,29)30/h3-5,12-17,19,24-25H,6-11,18H2,1-2H3,(H,29,32,33);4-6,11-16,36H,7-10,17H2,1-3H3,(H,27,28,31);3-9,11-12,18,32H,10H2,1-2H3,(H,25,26,29);3-5,8-13H,6-7H2,1-2H3,(H2,21,29,30)(H,22,23,26).
What are the key properties of N-[4-(cyclopropylsulfonylmethyl)cyclohexyl]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;1-[4-hydroxy-4-[[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]piperidin-1-yl]ethanone;2-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]ethanesulfonamide;1,1,1-trifluoro-3-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]propan-2-ol?
N-[4-(cyclopropylsulfonylmethyl)cyclohexyl]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;1-[4-hydroxy-4-[[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]piperidin-1-yl]ethanone;2-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]ethanesulfonamide;1,1,1-trifluoro-3-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]propan-2-ol has a molecular weight of 1900.22 g/mol, XLogP of 12.15, 27 rotatable bonds, 7 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropylsulfonylmethyl)cyclohexyl]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;1-[4-hydroxy-4-[[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]piperidin-1-yl]ethanone;2-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]ethanesulfonamide;1,1,1-trifluoro-3-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]propan-2-ol is sourced from PubChem (CID 159876955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).