(2R)-3-[4-[1-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol;(2S,3S)-1-[4-[6-(ethylamino)-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]butane-2,3-diol;(2R)-1-[4-[6-(ethylamino)-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;3-[4-[6-(ethylamino)-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropane-1,2-diol;(2R)-3-[4-[6-(ethylamino)-1-[4-(2-methylpyrimidin-4-yl)oxycyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol

C132H165ClF4N36O15 — CID 163430067

IUPAC(2R)-3-[4-[1-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol;(2S,3S)-1-[4-[6-(ethylamino)-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]butane-2,3-diol;(2R)-1-[4-[6-(ethylamino)-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;3-[4-[6-(ethylamino)-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropane-1,2-diol;(2R)-3-[4-[6-(ethylamino)-1-[4-(2-methylpyrimidin-4-yl)oxycyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol
SMILESCCNc1cc2c(cn1)c(-c1cnn(CC(C)(O)CO)c1)nn2C1CCC(Oc2nccc(C)c2F)CC1.CCNc1cc2c(cn1)c(-c1cnn(C[C@@H](O)C(C)(C)O)c1)nn2C1CCC(Oc2nccc(C)c2F)CC1.CCNc1cc2c(cn1)c(-c1cnn(C[C@@H](O)CO)c1)nn2C1CCC(Oc2ccnc(C)n2)CC1.CCNc1cc2c(cn1)c(-c1cnn(C[C@@H](O)CO)c1)nn2C1CCC(Oc2ncc(Cl)cc2F)CC1.CCNc1cc2c(cn1)c(-c1cnn(C[C@H](O)[C@H](C)O)c1)nn2C1CCC(Oc2nccc(C)c2F)CC1
InChIInChI=1S/C28H36FN7O3.2C27H34FN7O3.C25H29ClFN7O3.C25H32N8O3/c1-5-30-24-12-22-21(14-32-24)26(18-13-33-35(15-18)16-23(37)28(3,4)38)34-36(22)19-6-8-20(9-7-19)39-27-25(29)17(2)10-11-31-27;1-4-29-23-11-22-21(13-31-23)25(18-12-32-34(14-18)15-27(3,37)16-36)33-35(22)19-5-7-20(8-6-19)38-26-24(28)17(2)9-10-30-26;1-4-29-24-11-22-21(13-31-24)26(18-12-32-34(14-18)15-23(37)17(3)36)33-35(22)19-5-7-20(8-6-19)38-27-25(28)16(2)9-10-30-27;1-2-28-23-8-22-20(11-29-23)24(15-9-31-33(12-15)13-18(36)14-35)32-34(22)17-3-5-19(6-4-17)37-25-21(27)7-16(26)10-30-25;1-3-26-23-10-22-21(12-28-23)25(17-11-29-32(13-17)14-19(35)15-34)31-33(22)18-4-6-20(7-5-18)36-24-8-9-27-16(2)30-24/h10-15,19-20,23,37-38H,5-9,16H2,1-4H3,(H,30,32);9-14,19-20,36-37H,4-8,15-16H2,1-3H3,(H,29,31);9-14,17,19-20,23,36-37H,4-8,15H2,1-3H3,(H,29,31);7-12,17-19,35-36H,2-6,13-14H2,1H3,(H,28,29);8-13,18-20,34-35H,3-7,14-15H2,1-2H3,(H,26,28)/t19?,20?,23-;;17-,19?,20?,23-;17?,18-,19?;18?,19-,20?/m1.011/s1
InChIKeyAPSIILVBULJNNT-XXNGAYJDSA-N
MW2607.45 g/mol
LogP18.58
Rot. Bonds45

About (2R)-3-[4-[1-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol;(2S,3S)-1-[4-[6-(ethylamino)-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]butane-2,3-diol;(2R)-1-[4-[6-(ethylamino)-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;3-[4-[6-(ethylamino)-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropane-1,2-diol;(2R)-3-[4-[6-(ethylamino)-1-[4-(2-methylpyrimidin-4-yl)oxycyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol

(2R)-3-[4-[1-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol;(2S,3S)-1-[4-[6-(ethylamino)-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]butane-2,3-diol;(2R)-1-[4-[6-(ethylamino)-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;3-[4-[6-(ethylamino)-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropane-1,2-diol;(2R)-3-[4-[6-(ethylamino)-1-[4-(2-methylpyrimidin-4-yl)oxycyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol (PubChem CID 163430067) has the molecular formula C132H165ClF4N36O15 and a molecular weight of 2607.45 g/mol. Its IUPAC name is (2R)-3-[4-[1-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol;(2S,3S)-1-[4-[6-(ethylamino)-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]butane-2,3-diol;(2R)-1-[4-[6-(ethylamino)-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;3-[4-[6-(ethylamino)-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropane-1,2-diol;(2R)-3-[4-[6-(ethylamino)-1-[4-(2-methylpyrimidin-4-yl)oxycyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-[4-[1-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol;(2S,3S)-1-[4-[6-(ethylamino)-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]butane-2,3-diol;(2R)-1-[4-[6-(ethylamino)-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;3-[4-[6-(ethylamino)-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropane-1,2-diol;(2R)-3-[4-[6-(ethylamino)-1-[4-(2-methylpyrimidin-4-yl)oxycyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol
PubChem CID163430067
Molecular FormulaC132H165ClF4N36O15
Molecular Weight2607.45 g/mol
Exact Mass2605.29
IUPAC Name(2R)-3-[4-[1-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol;(2S,3S)-1-[4-[6-(ethylamino)-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]butane-2,3-diol;(2R)-1-[4-[6-(ethylamino)-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;3-[4-[6-(ethylamino)-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropane-1,2-diol;(2R)-3-[4-[6-(ethylamino)-1-[4-(2-methylpyrimidin-4-yl)oxycyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol
SMILESCCNc1cc2c(cn1)c(-c1cnn(CC(C)(O)CO)c1)nn2C1CCC(Oc2nccc(C)c2F)CC1.CCNc1cc2c(cn1)c(-c1cnn(C[C@@H](O)C(C)(C)O)c1)nn2C1CCC(Oc2nccc(C)c2F)CC1.CCNc1cc2c(cn1)c(-c1cnn(C[C@@H](O)CO)c1)nn2C1CCC(Oc2ccnc(C)n2)CC1.CCNc1cc2c(cn1)c(-c1cnn(C[C@@H](O)CO)c1)nn2C1CCC(Oc2ncc(Cl)cc2F)CC1.CCNc1cc2c(cn1)c(-c1cnn(C[C@H](O)[C@H](C)O)c1)nn2C1CCC(Oc2nccc(C)c2F)CC1
InChIInChI=1S/C28H36FN7O3.2C27H34FN7O3.C25H29ClFN7O3.C25H32N8O3/c1-5-30-24-12-22-21(14-32-24)26(18-13-33-35(15-18)16-23(37)28(3,4)38)34-36(22)19-6-8-20(9-7-19)39-27-25(29)17(2)10-11-31-27;1-4-29-23-11-22-21(13-31-23)25(18-12-32-34(14-18)15-27(3,37)16-36)33-35(22)19-5-7-20(8-6-19)38-26-24(28)17(2)9-10-30-26;1-4-29-24-11-22-21(13-31-24)26(18-12-32-34(14-18)15-23(37)17(3)36)33-35(22)19-5-7-20(8-6-19)38-27-25(28)16(2)9-10-30-27;1-2-28-23-8-22-20(11-29-23)24(15-9-31-33(12-15)13-18(36)14-35)32-34(22)17-3-5-19(6-4-17)37-25-21(27)7-16(26)10-30-25;1-3-26-23-10-22-21(12-28-23)25(17-11-29-32(13-17)14-19(35)15-34)31-33(22)18-4-6-20(7-5-18)36-24-8-9-27-16(2)30-24/h10-15,19-20,23,37-38H,5-9,16H2,1-4H3,(H,30,32);9-14,19-20,36-37H,4-8,15-16H2,1-3H3,(H,29,31);9-14,17,19-20,23,36-37H,4-8,15H2,1-3H3,(H,29,31);7-12,17-19,35-36H,2-6,13-14H2,1H3,(H,28,29);8-13,18-20,34-35H,3-7,14-15H2,1-2H3,(H,26,28)/t19?,20?,23-;;17-,19?,20?,23-;17?,18-,19?;18?,19-,20?/m1.011/s1
InChIKeyAPSIILVBULJNNT-XXNGAYJDSA-N
XLogP18.58
TPSA628.59 Ų
H-Bond Donors15
H-Bond Acceptors51
Rotatable Bonds45
Heavy Atoms188
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002607.45
LogP ≤ 518.58
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1051

Analyze (2R)-3-[4-[1-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol;(2S,3S)-1-[4-[6-(ethylamino)-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]butane-2,3-diol;(2R)-1-[4-[6-(ethylamino)-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;3-[4-[6-(ethylamino)-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropane-1,2-diol;(2R)-3-[4-[6-(ethylamino)-1-[4-(2-methylpyrimidin-4-yl)oxycyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol with MolForge

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Related Compounds

US11247990, Example 240
CID 138682956
3-[4-[1-[4-[(5-Chloro-3-fluoro-2-pyridinyl)oxy]cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol
CID 138682958
(2S)-1-benzyl-5,5-difluoro-2-methylpiperidin-4-ol;(2S)-5,5-difluoro-1,2-dimethylpiperidin-4-ol;5-[(2R,4R)-5,5-difluoro-1,2-dimethylpiperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-[(2S,4S)-5,5-difluoro-1,2-dimethylpiperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-(5,5-difluoro-1,2-dimethylpiperidin-4-yl)oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine
CID 157525949
2-[(3-chloro-4-methoxyphenyl)methylamino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[(4-hydroxycyclohexyl)amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-(2-hydroxypropylamino)-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-(propylamino)-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[(4-pyrazol-1-ylphenyl)methylamino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile
CID 158132318
2-[4-[[4-[1-(2-Chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-(2-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[3-methoxy-1-(oxan-4-yl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-pyridin-3-yl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
CID 158832093
5-(3-chlorophenyl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2-chloro-4-pyridinyl)-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;[4-[[5-[1-(2-methylpropyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol;(3R)-1-[2-[(2-methyl-4-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]piperidin-3-ol;N-(2-methyl-4-pyridinyl)-5-[2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;[4-[[5-[2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol
CID 158871886
4-N-(3-chlorophenyl)-5-fluoro-2-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-(2-ethyl-5-fluoropyrazolo[1,5-a]pyridin-3-yl)-5-fluoropyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(2-ethyl-5-fluoropyrazolo[1,5-a]pyridin-3-yl)-5-fluoropyrimidine-4,6-diamine;2-(2-ethyl-5-fluoropyrazolo[1,5-a]pyridin-3-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;5-fluoro-2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-(3-methoxyphenyl)pyrimidine-4,6-diamine
CID 159166874
6-(6-chloro-2-ethylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-[1-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazin-2-amine;6-[1-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine;6-[1-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;[6-fluoro-3-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]imidazo[1,2-a]pyridin-2-yl]methanol
CID 159204752
4-chloro-6-(5-methoxy-2-methylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine;6-(2-ethyl-5-fluoropyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-3-hydroxy-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine;6-(5-fluoro-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;3-hydroxy-6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine;6-(5-methoxy-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 159269104
3-(6-chloropyrimidin-4-yl)-N-(4,4-difluorocyclohexyl)-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-amine;N-(4,4-difluorocyclohexyl)-1-[(4-methoxyphenyl)methyl]-3-pyrimidin-4-ylpyrazolo[4,3-c]pyridin-4-amine;N-(4,4-difluorocyclohexyl)-1-[(4-methoxyphenyl)methyl]-3-trimethylstannylpyrazolo[4,3-c]pyridin-4-amine;N-(4,4-difluorocyclohexyl)-3-pyrimidin-4-yl-1H-pyrrolo[3,4-c]pyridin-4-amine
CID 159289110
CID 159459122
CID 159459122
1-[3-[4-(2-amino-3-pyridinyl)-5-methyl-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-methyl-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[[(3R)-oxolan-3-yl]methyl]-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[[(3R)-oxolan-3-yl]methyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-(oxolan-3-ylmethyl)-6-[3-(trifluoromethyl)piperazin-1-yl]pyrimidin-2-yl]phenoxy]propan-2-ol
CID 159473722

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[4-[1-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol;(2S,3S)-1-[4-[6-(ethylamino)-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]butane-2,3-diol;(2R)-1-[4-[6-(ethylamino)-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;3-[4-[6-(ethylamino)-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropane-1,2-diol;(2R)-3-[4-[6-(ethylamino)-1-[4-(2-methylpyrimidin-4-yl)oxycyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol?
The IUPAC name of (2R)-3-[4-[1-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol;(2S,3S)-1-[4-[6-(ethylamino)-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]butane-2,3-diol;(2R)-1-[4-[6-(ethylamino)-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;3-[4-[6-(ethylamino)-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropane-1,2-diol;(2R)-3-[4-[6-(ethylamino)-1-[4-(2-methylpyrimidin-4-yl)oxycyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol (CID 163430067) is (2R)-3-[4-[1-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol;(2S,3S)-1-[4-[6-(ethylamino)-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]butane-2,3-diol;(2R)-1-[4-[6-(ethylamino)-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;3-[4-[6-(ethylamino)-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropane-1,2-diol;(2R)-3-[4-[6-(ethylamino)-1-[4-(2-methylpyrimidin-4-yl)oxycyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol.
What is the SMILES notation for (2R)-3-[4-[1-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol;(2S,3S)-1-[4-[6-(ethylamino)-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]butane-2,3-diol;(2R)-1-[4-[6-(ethylamino)-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;3-[4-[6-(ethylamino)-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropane-1,2-diol;(2R)-3-[4-[6-(ethylamino)-1-[4-(2-methylpyrimidin-4-yl)oxycyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol?
The canonical SMILES for (2R)-3-[4-[1-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol;(2S,3S)-1-[4-[6-(ethylamino)-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]butane-2,3-diol;(2R)-1-[4-[6-(ethylamino)-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;3-[4-[6-(ethylamino)-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropane-1,2-diol;(2R)-3-[4-[6-(ethylamino)-1-[4-(2-methylpyrimidin-4-yl)oxycyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol is CCNc1cc2c(cn1)c(-c1cnn(CC(C)(O)CO)c1)nn2C1CCC(Oc2nccc(C)c2F)CC1.CCNc1cc2c(cn1)c(-c1cnn(C[C@@H](O)C(C)(C)O)c1)nn2C1CCC(Oc2nccc(C)c2F)CC1.CCNc1cc2c(cn1)c(-c1cnn(C[C@@H](O)CO)c1)nn2C1CCC(Oc2ccnc(C)n2)CC1.CCNc1cc2c(cn1)c(-c1cnn(C[C@@H](O)CO)c1)nn2C1CCC(Oc2ncc(Cl)cc2F)CC1.CCNc1cc2c(cn1)c(-c1cnn(C[C@H](O)[C@H](C)O)c1)nn2C1CCC(Oc2nccc(C)c2F)CC1.
What is the InChIKey of (2R)-3-[4-[1-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol;(2S,3S)-1-[4-[6-(ethylamino)-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]butane-2,3-diol;(2R)-1-[4-[6-(ethylamino)-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;3-[4-[6-(ethylamino)-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropane-1,2-diol;(2R)-3-[4-[6-(ethylamino)-1-[4-(2-methylpyrimidin-4-yl)oxycyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol?
The InChIKey is APSIILVBULJNNT-XXNGAYJDSA-N. The full InChI is InChI=1S/C28H36FN7O3.2C27H34FN7O3.C25H29ClFN7O3.C25H32N8O3/c1-5-30-24-12-22-21(14-32-24)26(18-13-33-35(15-18)16-23(37)28(3,4)38)34-36(22)19-6-8-20(9-7-19)39-27-25(29)17(2)10-11-31-27;1-4-29-23-11-22-21(13-31-23)25(18-12-32-34(14-18)15-27(3,37)16-36)33-35(22)19-5-7-20(8-6-19)38-26-24(28)17(2)9-10-30-26;1-4-29-24-11-22-21(13-31-24)26(18-12-32-34(14-18)15-23(37)17(3)36)33-35(22)19-5-7-20(8-6-19)38-27-25(28)16(2)9-10-30-27;1-2-28-23-8-22-20(11-29-23)24(15-9-31-33(12-15)13-18(36)14-35)32-34(22)17-3-5-19(6-4-17)37-25-21(27)7-16(26)10-30-25;1-3-26-23-10-22-21(12-28-23)25(17-11-29-32(13-17)14-19(35)15-34)31-33(22)18-4-6-20(7-5-18)36-24-8-9-27-16(2)30-24/h10-15,19-20,23,37-38H,5-9,16H2,1-4H3,(H,30,32);9-14,19-20,36-37H,4-8,15-16H2,1-3H3,(H,29,31);9-14,17,19-20,23,36-37H,4-8,15H2,1-3H3,(H,29,31);7-12,17-19,35-36H,2-6,13-14H2,1H3,(H,28,29);8-13,18-20,34-35H,3-7,14-15H2,1-2H3,(H,26,28)/t19?,20?,23-;;17-,19?,20?,23-;17?,18-,19?;18?,19-,20?/m1.011/s1.
What are the key properties of (2R)-3-[4-[1-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol;(2S,3S)-1-[4-[6-(ethylamino)-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]butane-2,3-diol;(2R)-1-[4-[6-(ethylamino)-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;3-[4-[6-(ethylamino)-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropane-1,2-diol;(2R)-3-[4-[6-(ethylamino)-1-[4-(2-methylpyrimidin-4-yl)oxycyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol?
(2R)-3-[4-[1-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol;(2S,3S)-1-[4-[6-(ethylamino)-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]butane-2,3-diol;(2R)-1-[4-[6-(ethylamino)-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;3-[4-[6-(ethylamino)-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropane-1,2-diol;(2R)-3-[4-[6-(ethylamino)-1-[4-(2-methylpyrimidin-4-yl)oxycyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol has a molecular weight of 2607.45 g/mol, XLogP of 18.58, 45 rotatable bonds, 15 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[4-[1-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol;(2S,3S)-1-[4-[6-(ethylamino)-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]butane-2,3-diol;(2R)-1-[4-[6-(ethylamino)-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-3-methylbutane-2,3-diol;3-[4-[6-(ethylamino)-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropane-1,2-diol;(2R)-3-[4-[6-(ethylamino)-1-[4-(2-methylpyrimidin-4-yl)oxycyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol is sourced from PubChem (CID 163430067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).