(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
Data last refreshed: (MolForge compound catalog, from PubChem)
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 CID | 163430067 |
| Molecular Formula | C132H165ClF4N36O15 |
| Molecular Weight | 2607.45 g/mol |
| Exact Mass | 2605.29 |
| 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 |
| SMILES | 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 |
| InChI | 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 |
| InChIKey | APSIILVBULJNNT-XXNGAYJDSA-N |
| XLogP | 18.58 |
| TPSA | 628.59 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 51 |
| Rotatable Bonds | 45 |
| Heavy Atoms | 188 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2607.45 |
| LogP ≤ 5 | 18.58 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 51 |
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).
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Sources
- PubChem CID 163430067 — identifiers, structure, computed properties (public domain)
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