About (2S)-3-[4-[6-(ethylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol;(2R)-3-[4-[6-(ethylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol;2-[4-[6-(ethylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,3-diol;2-[4-[6-(methylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,3-diol;N-methyl-1-[4-(3-methylpyrazin-2-yl)oxycyclohexyl]-3-[1-(2-methylsulfonylethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-6-amine
(2S)-3-[4-[6-(ethylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol;(2R)-3-[4-[6-(ethylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol;2-[4-[6-(ethylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,3-diol;2-[4-[6-(methylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,3-diol;N-methyl-1-[4-(3-methylpyrazin-2-yl)oxycyclohexyl]-3-[1-(2-methylsulfonylethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-6-amine (PubChem CID 163581714) has the molecular formula C127H148F12N36O15S
and a molecular weight of 2678.86 g/mol. Its IUPAC name is (2S)-3-[4-[6-(ethylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol;(2R)-3-[4-[6-(ethylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol;2-[4-[6-(ethylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,3-diol;2-[4-[6-(methylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,3-diol;N-methyl-1-[4-(3-methylpyrazin-2-yl)oxycyclohexyl]-3-[1-(2-methylsulfonylethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-6-amine.
Frequently Asked Questions
What is the IUPAC name of (2S)-3-[4-[6-(ethylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol;(2R)-3-[4-[6-(ethylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol;2-[4-[6-(ethylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,3-diol;2-[4-[6-(methylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,3-diol;N-methyl-1-[4-(3-methylpyrazin-2-yl)oxycyclohexyl]-3-[1-(2-methylsulfonylethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-6-amine?
The IUPAC name of (2S)-3-[4-[6-(ethylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol;(2R)-3-[4-[6-(ethylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol;2-[4-[6-(ethylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,3-diol;2-[4-[6-(methylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,3-diol;N-methyl-1-[4-(3-methylpyrazin-2-yl)oxycyclohexyl]-3-[1-(2-methylsulfonylethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-6-amine (CID 163581714) is (2S)-3-[4-[6-(ethylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol;(2R)-3-[4-[6-(ethylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol;2-[4-[6-(ethylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,3-diol;2-[4-[6-(methylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,3-diol;N-methyl-1-[4-(3-methylpyrazin-2-yl)oxycyclohexyl]-3-[1-(2-methylsulfonylethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-6-amine.
What is the SMILES notation for (2S)-3-[4-[6-(ethylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol;(2R)-3-[4-[6-(ethylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol;2-[4-[6-(ethylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,3-diol;2-[4-[6-(methylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,3-diol;N-methyl-1-[4-(3-methylpyrazin-2-yl)oxycyclohexyl]-3-[1-(2-methylsulfonylethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-6-amine?
The canonical SMILES for (2S)-3-[4-[6-(ethylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol;(2R)-3-[4-[6-(ethylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol;2-[4-[6-(ethylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,3-diol;2-[4-[6-(methylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,3-diol;N-methyl-1-[4-(3-methylpyrazin-2-yl)oxycyclohexyl]-3-[1-(2-methylsulfonylethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-6-amine is CCNc1cc2c(cn1)c(-c1cnn(C(CO)CO)c1)nn2C1CCC(Oc2cccnc2C(F)(F)F)CC1.CCNc1cc2c(cn1)c(-c1cnn(C[C@@H](O)CO)c1)nn2C1CCC(Oc2cccnc2C(F)(F)F)CC1.CCNc1cc2c(cn1)c(-c1cnn(C[C@H](O)CO)c1)nn2C1CCC(Oc2cccnc2C(F)(F)F)CC1.CNc1cc2c(cn1)c(-c1cnn(C(CO)CO)c1)nn2C1CCC(Oc2cccnc2C(F)(F)F)CC1.CNc1cc2c(cn1)c(-c1cnn(CCS(C)(=O)=O)c1)nn2C1CCC(Oc2nccnc2C)CC1.
What is the InChIKey of (2S)-3-[4-[6-(ethylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol;(2R)-3-[4-[6-(ethylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol;2-[4-[6-(ethylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,3-diol;2-[4-[6-(methylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,3-diol;N-methyl-1-[4-(3-methylpyrazin-2-yl)oxycyclohexyl]-3-[1-(2-methylsulfonylethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-6-amine?
The InChIKey is GICJHJVBYGWDRU-QOPIJRHYSA-N. The full InChI is InChI=1S/3C26H30F3N7O3.C25H28F3N7O3.C24H30N8O3S/c1-2-30-23-10-21-20(12-32-23)24(16-11-33-35(13-16)18(14-37)15-38)34-36(21)17-5-7-19(8-6-17)39-22-4-3-9-31-25(22)26(27,28)29;2*1-2-30-23-10-21-20(12-32-23)24(16-11-33-35(13-16)14-18(38)15-37)34-36(21)17-5-7-19(8-6-17)39-22-4-3-9-31-25(22)26(27,28)29;1-29-22-9-20-19(11-31-22)23(15-10-32-34(12-15)17(13-36)14-37)33-35(20)16-4-6-18(7-5-16)38-21-3-2-8-30-24(21)25(26,27)28;1-16-24(27-9-8-26-16)35-19-6-4-18(5-7-19)32-21-12-22(25-2)28-14-20(21)23(30-32)17-13-29-31(15-17)10-11-36(3,33)34/h3*3-4,9-13,17-19,37-38H,2,5-8,14-15H2,1H3,(H,30,32);2-3,8-12,16-18,36-37H,4-7,13-14H2,1H3,(H,29,31);8-9,12-15,18-19H,4-7,10-11H2,1-3H3,(H,25,28)/t;2*17?,18-,19?;;/m.10../s1.
What are the key properties of (2S)-3-[4-[6-(ethylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol;(2R)-3-[4-[6-(ethylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol;2-[4-[6-(ethylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,3-diol;2-[4-[6-(methylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,3-diol;N-methyl-1-[4-(3-methylpyrazin-2-yl)oxycyclohexyl]-3-[1-(2-methylsulfonylethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-6-amine?
(2S)-3-[4-[6-(ethylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol;(2R)-3-[4-[6-(ethylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol;2-[4-[6-(ethylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,3-diol;2-[4-[6-(methylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,3-diol;N-methyl-1-[4-(3-methylpyrazin-2-yl)oxycyclohexyl]-3-[1-(2-methylsulfonylethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-6-amine has a molecular weight of 2678.86 g/mol, XLogP of 19.22, 43 rotatable bonds, 13 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[4-[6-(ethylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol;(2R)-3-[4-[6-(ethylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol;2-[4-[6-(ethylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,3-diol;2-[4-[6-(methylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,3-diol;N-methyl-1-[4-(3-methylpyrazin-2-yl)oxycyclohexyl]-3-[1-(2-methylsulfonylethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-6-amine is sourced from PubChem (CID 163581714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).