4-[[5-[(E)-2-[5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]-2-pyridinyl]methyl]morpholine;(3S)-1-[[5-[(E)-2-[5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]-2-pyridinyl]methyl]pyrrolidin-3-ol;[1-[[5-[(E)-2-[6-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3H-isoindol-1-yl]ethenyl]-2-pyridinyl]methyl]piperidin-4-yl]methanol;5-[(1R)-1-(3-chloro-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole;[1-[[3-[(E)-2-[6-[(1R)-1-(2,6-dichlorophenyl)ethoxy]-3H-isoindol-1-yl]ethenyl]phenyl]methyl]piperidin-4-yl]methanol

C143H149Cl6FN20O10 — CID 157385080

About 4-[[5-[(E)-2-[5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]-2-pyridinyl]methyl]morpholine;(3S)-1-[[5-[(E)-2-[5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]-2-pyridinyl]methyl]pyrrolidin-3-ol;[1-[[5-[(E)-2-[6-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3H-isoindol-1-yl]ethenyl]-2-pyridinyl]methyl]piperidin-4-yl]methanol;5-[(1R)-1-(3-chloro-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole;[1-[[3-[(E)-2-[6-[(1R)-1-(2,6-dichlorophenyl)ethoxy]-3H-isoindol-1-yl]ethenyl]phenyl]methyl]piperidin-4-yl]methanol

4-[[5-[(E)-2-[5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]-2-pyridinyl]methyl]morpholine;(3S)-1-[[5-[(E)-2-[5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]-2-pyridinyl]methyl]pyrrolidin-3-ol;[1-[[5-[(E)-2-[6-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3H-isoindol-1-yl]ethenyl]-2-pyridinyl]methyl]piperidin-4-yl]methanol;5-[(1R)-1-(3-chloro-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole;[1-[[3-[(E)-2-[6-[(1R)-1-(2,6-dichlorophenyl)ethoxy]-3H-isoindol-1-yl]ethenyl]phenyl]methyl]piperidin-4-yl]methanol (PubChem CID 157385080) has the molecular formula C143H149Cl6FN20O10 and a molecular weight of 2539.61 g/mol. Its IUPAC name is 4-[[5-[(E)-2-[5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]-2-pyridinyl]methyl]morpholine;(3S)-1-[[5-[(E)-2-[5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]-2-pyridinyl]methyl]pyrrolidin-3-ol;[1-[[5-[(E)-2-[6-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3H-isoindol-1-yl]ethenyl]-2-pyridinyl]methyl]piperidin-4-yl]methanol;5-[(1R)-1-(3-chloro-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole;[1-[[3-[(E)-2-[6-[(1R)-1-(2,6-dichlorophenyl)ethoxy]-3H-isoindol-1-yl]ethenyl]phenyl]methyl]piperidin-4-yl]methanol.

Molecular Properties

• Compound Name: 4-[[5-[(E)-2-[5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]-2-pyridinyl]methyl]morpholine;(3S)-1-[[5-[(E)-2-[5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]-2-pyridinyl]methyl]pyrrolidin-3-ol;[1-[[5-[(E)-2-[6-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3H-isoindol-1-yl]ethenyl]-2-pyridinyl]methyl]piperidin-4-yl]methanol;5-[(1R)-1-(3-chloro-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole;[1-[[3-[(E)-2-[6-[(1R)-1-(2,6-dichlorophenyl)ethoxy]-3H-isoindol-1-yl]ethenyl]phenyl]methyl]piperidin-4-yl]methanol
• PubChem CID: 157385080
• Molecular Formula: C143H149Cl6FN20O10
• Molecular Weight: 2539.61 g/mol
• Exact Mass: 2534.99
• IUPAC Name: 4-[[5-[(E)-2-[5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]-2-pyridinyl]methyl]morpholine;(3S)-1-[[5-[(E)-2-[5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]-2-pyridinyl]methyl]pyrrolidin-3-ol;[1-[[5-[(E)-2-[6-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3H-isoindol-1-yl]ethenyl]-2-pyridinyl]methyl]piperidin-4-yl]methanol;5-[(1R)-1-(3-chloro-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole;[1-[[3-[(E)-2-[6-[(1R)-1-(2,6-dichlorophenyl)ethoxy]-3H-isoindol-1-yl]ethenyl]phenyl]methyl]piperidin-4-yl]methanol
• SMILES: C[C@@H](Oc1ccc2c(c1)C(/C=C/c1cccc(CN3CCC(CO)CC3)c1)=NC2)c1c(Cl)cccc1Cl.C[C@@H](Oc1ccc2n[nH]c(/C=C(\F)c3ccc(CCC4CCOCC4)nc3)c2c1)c1ccncc1Cl.Cc1cncc(Cl)c1[C@@H](C)Oc1ccc2[nH]nc(/C=C/c3ccc(CN4CCOCC4)nc3)c2c1.Cc1cncc(Cl)c1[C@@H](C)Oc1ccc2[nH]nc(/C=C/c3ccc(CN4CC[C@H](O)C4)nc3)c2c1.Cc1cncc(Cl)c1[C@@H](C)Oc1ccc2c(c1)C(/C=C/c1ccc(CN3CCC(CO)CC3)nc1)=NC2
• InChI: InChI=1S/C31H32Cl2N2O2.C30H33ClN4O2.C28H28ClFN4O2.2C27H28ClN5O2/c1-21(31-28(32)6-3-7-29(31)33)37-26-10-9-25-18-34-30(27(25)17-26)11-8-22-4-2-5-24(16-22)19-35-14-12-23(20-36)13-15-35;1-20-14-32-17-28(31)30(20)21(2)37-26-7-5-24-16-34-29(27(24)13-26)8-4-22-3-6-25(33-15-22)18-35-11-9-23(19-36)10-12-35;1-18(23-8-11-31-17-25(23)29)36-22-6-7-27-24(14-22)28(34-33-27)15-26(30)20-3-5-21(32-16-20)4-2-19-9-12-35-13-10-19;1-18-14-29-16-24(28)27(18)19(2)35-22-6-8-26-23(13-22)25(31-32-26)7-4-20-3-5-21(30-15-20)17-33-9-11-34-12-10-33;1-17-12-29-14-24(28)27(17)18(2)35-22-6-8-26-23(11-22)25(31-32-26)7-4-19-3-5-20(30-13-19)15-33-10-9-21(34)16-33/h2-11,16-17,21,23,36H,12-15,18-20H2,1H3;3-8,13-15,17,21,23,36H,9-12,16,18-19H2,1-2H3;3,5-8,11,14-19H,2,4,9-10,12-13H2,1H3,(H,33,34);3-8,13-16,19H,9-12,17H2,1-2H3,(H,31,32);3-8,11-14,18,21,34H,9-10,15-16H2,1-2H3,(H,31,32)/b11-8+;8-4+;26-15-;2*7-4+/t2*21-;18-;19-;18-,21+/m11111/s1
• InChIKey: BLIKDBQURZRGOX-KPGFOHRRSA-N
• XLogP: 30.77
• TPSA: 352.14 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 27
• Rotatable Bonds: 38
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2539.61
LogP ≤ 5	30.77
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[(E)-2-[5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]-2-pyridinyl]methyl]morpholine;(3S)-1-[[5-[(E)-2-[5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]-2-pyridinyl]methyl]pyrrolidin-3-ol;[1-[[5-[(E)-2-[6-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3H-isoindol-1-yl]ethenyl]-2-pyridinyl]methyl]piperidin-4-yl]methanol;5-[(1R)-1-(3-chloro-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole;[1-[[3-[(E)-2-[6-[(1R)-1-(2,6-dichlorophenyl)ethoxy]-3H-isoindol-1-yl]ethenyl]phenyl]methyl]piperidin-4-yl]methanol?

The IUPAC name of 4-[[5-[(E)-2-[5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]-2-pyridinyl]methyl]morpholine;(3S)-1-[[5-[(E)-2-[5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]-2-pyridinyl]methyl]pyrrolidin-3-ol;[1-[[5-[(E)-2-[6-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3H-isoindol-1-yl]ethenyl]-2-pyridinyl]methyl]piperidin-4-yl]methanol;5-[(1R)-1-(3-chloro-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole;[1-[[3-[(E)-2-[6-[(1R)-1-(2,6-dichlorophenyl)ethoxy]-3H-isoindol-1-yl]ethenyl]phenyl]methyl]piperidin-4-yl]methanol (CID 157385080) is 4-[[5-[(E)-2-[5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]-2-pyridinyl]methyl]morpholine;(3S)-1-[[5-[(E)-2-[5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]-2-pyridinyl]methyl]pyrrolidin-3-ol;[1-[[5-[(E)-2-[6-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3H-isoindol-1-yl]ethenyl]-2-pyridinyl]methyl]piperidin-4-yl]methanol;5-[(1R)-1-(3-chloro-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole;[1-[[3-[(E)-2-[6-[(1R)-1-(2,6-dichlorophenyl)ethoxy]-3H-isoindol-1-yl]ethenyl]phenyl]methyl]piperidin-4-yl]methanol.

What is the SMILES notation for 4-[[5-[(E)-2-[5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]-2-pyridinyl]methyl]morpholine;(3S)-1-[[5-[(E)-2-[5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]-2-pyridinyl]methyl]pyrrolidin-3-ol;[1-[[5-[(E)-2-[6-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3H-isoindol-1-yl]ethenyl]-2-pyridinyl]methyl]piperidin-4-yl]methanol;5-[(1R)-1-(3-chloro-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole;[1-[[3-[(E)-2-[6-[(1R)-1-(2,6-dichlorophenyl)ethoxy]-3H-isoindol-1-yl]ethenyl]phenyl]methyl]piperidin-4-yl]methanol?

The canonical SMILES for 4-[[5-[(E)-2-[5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]-2-pyridinyl]methyl]morpholine;(3S)-1-[[5-[(E)-2-[5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]-2-pyridinyl]methyl]pyrrolidin-3-ol;[1-[[5-[(E)-2-[6-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3H-isoindol-1-yl]ethenyl]-2-pyridinyl]methyl]piperidin-4-yl]methanol;5-[(1R)-1-(3-chloro-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole;[1-[[3-[(E)-2-[6-[(1R)-1-(2,6-dichlorophenyl)ethoxy]-3H-isoindol-1-yl]ethenyl]phenyl]methyl]piperidin-4-yl]methanol is C[C@@H](Oc1ccc2c(c1)C(/C=C/c1cccc(CN3CCC(CO)CC3)c1)=NC2)c1c(Cl)cccc1Cl.C[C@@H](Oc1ccc2n[nH]c(/C=C(\F)c3ccc(CCC4CCOCC4)nc3)c2c1)c1ccncc1Cl.Cc1cncc(Cl)c1[C@@H](C)Oc1ccc2[nH]nc(/C=C/c3ccc(CN4CCOCC4)nc3)c2c1.Cc1cncc(Cl)c1[C@@H](C)Oc1ccc2[nH]nc(/C=C/c3ccc(CN4CC[C@H](O)C4)nc3)c2c1.Cc1cncc(Cl)c1[C@@H](C)Oc1ccc2c(c1)C(/C=C/c1ccc(CN3CCC(CO)CC3)nc1)=NC2.

What is the InChIKey of 4-[[5-[(E)-2-[5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]-2-pyridinyl]methyl]morpholine;(3S)-1-[[5-[(E)-2-[5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]-2-pyridinyl]methyl]pyrrolidin-3-ol;[1-[[5-[(E)-2-[6-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3H-isoindol-1-yl]ethenyl]-2-pyridinyl]methyl]piperidin-4-yl]methanol;5-[(1R)-1-(3-chloro-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole;[1-[[3-[(E)-2-[6-[(1R)-1-(2,6-dichlorophenyl)ethoxy]-3H-isoindol-1-yl]ethenyl]phenyl]methyl]piperidin-4-yl]methanol?

The InChIKey is BLIKDBQURZRGOX-KPGFOHRRSA-N. The full InChI is InChI=1S/C31H32Cl2N2O2.C30H33ClN4O2.C28H28ClFN4O2.2C27H28ClN5O2/c1-21(31-28(32)6-3-7-29(31)33)37-26-10-9-25-18-34-30(27(25)17-26)11-8-22-4-2-5-24(16-22)19-35-14-12-23(20-36)13-15-35;1-20-14-32-17-28(31)30(20)21(2)37-26-7-5-24-16-34-29(27(24)13-26)8-4-22-3-6-25(33-15-22)18-35-11-9-23(19-36)10-12-35;1-18(23-8-11-31-17-25(23)29)36-22-6-7-27-24(14-22)28(34-33-27)15-26(30)20-3-5-21(32-16-20)4-2-19-9-12-35-13-10-19;1-18-14-29-16-24(28)27(18)19(2)35-22-6-8-26-23(13-22)25(31-32-26)7-4-20-3-5-21(30-15-20)17-33-9-11-34-12-10-33;1-17-12-29-14-24(28)27(17)18(2)35-22-6-8-26-23(11-22)25(31-32-26)7-4-19-3-5-20(30-13-19)15-33-10-9-21(34)16-33/h2-11,16-17,21,23,36H,12-15,18-20H2,1H3;3-8,13-15,17,21,23,36H,9-12,16,18-19H2,1-2H3;3,5-8,11,14-19H,2,4,9-10,12-13H2,1H3,(H,33,34);3-8,13-16,19H,9-12,17H2,1-2H3,(H,31,32);3-8,11-14,18,21,34H,9-10,15-16H2,1-2H3,(H,31,32)/b11-8+;8-4+;26-15-;2*7-4+/t2*21-;18-;19-;18-,21+/m11111/s1.

What are the key properties of 4-[[5-[(E)-2-[5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]-2-pyridinyl]methyl]morpholine;(3S)-1-[[5-[(E)-2-[5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]-2-pyridinyl]methyl]pyrrolidin-3-ol;[1-[[5-[(E)-2-[6-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3H-isoindol-1-yl]ethenyl]-2-pyridinyl]methyl]piperidin-4-yl]methanol;5-[(1R)-1-(3-chloro-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole;[1-[[3-[(E)-2-[6-[(1R)-1-(2,6-dichlorophenyl)ethoxy]-3H-isoindol-1-yl]ethenyl]phenyl]methyl]piperidin-4-yl]methanol?

4-[[5-[(E)-2-[5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]-2-pyridinyl]methyl]morpholine;(3S)-1-[[5-[(E)-2-[5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]-2-pyridinyl]methyl]pyrrolidin-3-ol;[1-[[5-[(E)-2-[6-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3H-isoindol-1-yl]ethenyl]-2-pyridinyl]methyl]piperidin-4-yl]methanol;5-[(1R)-1-(3-chloro-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole;[1-[[3-[(E)-2-[6-[(1R)-1-(2,6-dichlorophenyl)ethoxy]-3H-isoindol-1-yl]ethenyl]phenyl]methyl]piperidin-4-yl]methanol has a molecular weight of 2539.61 g/mol, XLogP of 30.77, 38 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[5-[(E)-2-[5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]-2-pyridinyl]methyl]morpholine;(3S)-1-[[5-[(E)-2-[5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]-2-pyridinyl]methyl]pyrrolidin-3-ol;[1-[[5-[(E)-2-[6-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3H-isoindol-1-yl]ethenyl]-2-pyridinyl]methyl]piperidin-4-yl]methanol;5-[(1R)-1-(3-chloro-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole;[1-[[3-[(E)-2-[6-[(1R)-1-(2,6-dichlorophenyl)ethoxy]-3H-isoindol-1-yl]ethenyl]phenyl]methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 157385080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).