4-[[6-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]pyridazin-3-yl]methyl]morpholine;4-[[5-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-2-pyridinyl]methyl]morpholine;1-[[5-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]pyrrolidin-3-ol;N-[[5-[(Z)-2-[6-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3H-isoindol-1-yl]-1-fluoroethenyl]-2-pyridinyl]methyl]oxan-4-amine

C108H107Cl5F4N20O8 — CID 158031633

IUPAC4-[[6-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]pyridazin-3-yl]methyl]morpholine;4-[[5-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-2-pyridinyl]methyl]morpholine;1-[[5-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]pyrrolidin-3-ol;N-[[5-[(Z)-2-[6-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3H-isoindol-1-yl]-1-fluoroethenyl]-2-pyridinyl]methyl]oxan-4-amine
SMILESC[C@H](Oc1ccc2c(c1)C(/C=C(\F)c1ccc(CNC3CCOCC3)nc1)=NC2)c1c(Cl)cncc1Cl.Cc1cncc(Cl)c1C(C)Oc1ccc2[nH]nc(/C(F)=C/c3ccc(CN4CCC(O)C4)nc3)c2c1.Cc1cncc(Cl)c1C(C)Oc1ccc2[nH]nc(/C(F)=C/c3ccc(CN4CCOCC4)nn3)c2c1.Cc1cncc(Cl)c1C(C)Oc1ccc2n[nH]c(/C=C(\F)c3ccc(CN4CCOCC4)nc3)c2c1
InChIInChI=1S/C28H27Cl2FN4O2.2C27H27ClFN5O2.C26H26ClFN6O2/c1-17(28-24(29)15-32-16-25(28)30)37-22-5-3-18-12-35-27(23(18)10-22)11-26(31)19-2-4-21(33-13-19)14-34-20-6-8-36-9-7-20;1-17-13-30-15-23(28)27(17)18(2)36-21-5-6-25-22(11-21)26(33-32-25)12-24(29)19-3-4-20(31-14-19)16-34-7-9-35-10-8-34;1-16-11-30-13-23(28)26(16)17(2)36-21-5-6-25-22(10-21)27(33-32-25)24(29)9-18-3-4-19(31-12-18)14-34-8-7-20(35)15-34;1-16-13-29-14-22(27)25(16)17(2)36-20-5-6-24-21(12-20)26(33-32-24)23(28)11-18-3-4-19(31-30-18)15-34-7-9-35-10-8-34/h2-5,10-11,13,15-17,20,34H,6-9,12,14H2,1H3;3-6,11-15,18H,7-10,16H2,1-2H3,(H,32,33);3-6,9-13,17,20,35H,7-8,14-15H2,1-2H3,(H,32,33);3-6,11-14,17H,7-10,15H2,1-2H3,(H,32,33)/b26-11-;24-12-;24-9-;23-11-/t17-;;;/m0.../s1
InChIKeyFHGCPMJXMVVTBB-ZUAAGQEHSA-N
MW2066.43 g/mol
LogP22.90
Rot. Bonds29

About 4-[[6-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]pyridazin-3-yl]methyl]morpholine;4-[[5-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-2-pyridinyl]methyl]morpholine;1-[[5-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]pyrrolidin-3-ol;N-[[5-[(Z)-2-[6-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3H-isoindol-1-yl]-1-fluoroethenyl]-2-pyridinyl]methyl]oxan-4-amine

4-[[6-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]pyridazin-3-yl]methyl]morpholine;4-[[5-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-2-pyridinyl]methyl]morpholine;1-[[5-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]pyrrolidin-3-ol;N-[[5-[(Z)-2-[6-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3H-isoindol-1-yl]-1-fluoroethenyl]-2-pyridinyl]methyl]oxan-4-amine (PubChem CID 158031633) has the molecular formula C108H107Cl5F4N20O8 and a molecular weight of 2066.43 g/mol. Its IUPAC name is 4-[[6-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]pyridazin-3-yl]methyl]morpholine;4-[[5-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-2-pyridinyl]methyl]morpholine;1-[[5-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]pyrrolidin-3-ol;N-[[5-[(Z)-2-[6-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3H-isoindol-1-yl]-1-fluoroethenyl]-2-pyridinyl]methyl]oxan-4-amine.

Molecular Properties

Compound Name4-[[6-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]pyridazin-3-yl]methyl]morpholine;4-[[5-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-2-pyridinyl]methyl]morpholine;1-[[5-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]pyrrolidin-3-ol;N-[[5-[(Z)-2-[6-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3H-isoindol-1-yl]-1-fluoroethenyl]-2-pyridinyl]methyl]oxan-4-amine
PubChem CID158031633
Molecular FormulaC108H107Cl5F4N20O8
Molecular Weight2066.43 g/mol
Exact Mass2062.70
IUPAC Name4-[[6-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]pyridazin-3-yl]methyl]morpholine;4-[[5-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-2-pyridinyl]methyl]morpholine;1-[[5-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]pyrrolidin-3-ol;N-[[5-[(Z)-2-[6-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3H-isoindol-1-yl]-1-fluoroethenyl]-2-pyridinyl]methyl]oxan-4-amine
SMILESC[C@H](Oc1ccc2c(c1)C(/C=C(\F)c1ccc(CNC3CCOCC3)nc1)=NC2)c1c(Cl)cncc1Cl.Cc1cncc(Cl)c1C(C)Oc1ccc2[nH]nc(/C(F)=C/c3ccc(CN4CCC(O)C4)nc3)c2c1.Cc1cncc(Cl)c1C(C)Oc1ccc2[nH]nc(/C(F)=C/c3ccc(CN4CCOCC4)nn3)c2c1.Cc1cncc(Cl)c1C(C)Oc1ccc2n[nH]c(/C=C(\F)c3ccc(CN4CCOCC4)nc3)c2c1
InChIInChI=1S/C28H27Cl2FN4O2.2C27H27ClFN5O2.C26H26ClFN6O2/c1-17(28-24(29)15-32-16-25(28)30)37-22-5-3-18-12-35-27(23(18)10-22)11-26(31)19-2-4-21(33-13-19)14-34-20-6-8-36-9-7-20;1-17-13-30-15-23(28)27(17)18(2)36-21-5-6-25-22(11-21)26(33-32-25)12-24(29)19-3-4-20(31-14-19)16-34-7-9-35-10-8-34;1-16-11-30-13-23(28)26(16)17(2)36-21-5-6-25-22(10-21)27(33-32-25)24(29)9-18-3-4-19(31-12-18)14-34-8-7-20(35)15-34;1-16-13-29-14-22(27)25(16)17(2)36-20-5-6-24-21(12-20)26(33-32-24)23(28)11-18-3-4-19(31-30-18)15-34-7-9-35-10-8-34/h2-5,10-11,13,15-17,20,34H,6-9,12,14H2,1H3;3-6,11-15,18H,7-10,16H2,1-2H3,(H,32,33);3-6,9-13,17,20,35H,7-8,14-15H2,1-2H3,(H,32,33);3-6,11-14,17H,7-10,15H2,1-2H3,(H,32,33)/b26-11-;24-12-;24-9-;23-11-/t17-;;;/m0.../s1
InChIKeyFHGCPMJXMVVTBB-ZUAAGQEHSA-N
XLogP22.90
TPSA321.00 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds29
Heavy Atoms145
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002066.43
LogP ≤ 522.90
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Analyze 4-[[6-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]pyridazin-3-yl]methyl]morpholine;4-[[5-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-2-pyridinyl]methyl]morpholine;1-[[5-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]pyrrolidin-3-ol;N-[[5-[(Z)-2-[6-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3H-isoindol-1-yl]-1-fluoroethenyl]-2-pyridinyl]methyl]oxan-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]pyridazin-3-yl]methyl]morpholine;4-[[5-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-2-pyridinyl]methyl]morpholine;1-[[5-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]pyrrolidin-3-ol;N-[[5-[(Z)-2-[6-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3H-isoindol-1-yl]-1-fluoroethenyl]-2-pyridinyl]methyl]oxan-4-amine?
The IUPAC name of 4-[[6-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]pyridazin-3-yl]methyl]morpholine;4-[[5-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-2-pyridinyl]methyl]morpholine;1-[[5-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]pyrrolidin-3-ol;N-[[5-[(Z)-2-[6-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3H-isoindol-1-yl]-1-fluoroethenyl]-2-pyridinyl]methyl]oxan-4-amine (CID 158031633) is 4-[[6-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]pyridazin-3-yl]methyl]morpholine;4-[[5-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-2-pyridinyl]methyl]morpholine;1-[[5-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]pyrrolidin-3-ol;N-[[5-[(Z)-2-[6-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3H-isoindol-1-yl]-1-fluoroethenyl]-2-pyridinyl]methyl]oxan-4-amine.
What is the SMILES notation for 4-[[6-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]pyridazin-3-yl]methyl]morpholine;4-[[5-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-2-pyridinyl]methyl]morpholine;1-[[5-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]pyrrolidin-3-ol;N-[[5-[(Z)-2-[6-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3H-isoindol-1-yl]-1-fluoroethenyl]-2-pyridinyl]methyl]oxan-4-amine?
The canonical SMILES for 4-[[6-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]pyridazin-3-yl]methyl]morpholine;4-[[5-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-2-pyridinyl]methyl]morpholine;1-[[5-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]pyrrolidin-3-ol;N-[[5-[(Z)-2-[6-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3H-isoindol-1-yl]-1-fluoroethenyl]-2-pyridinyl]methyl]oxan-4-amine is C[C@H](Oc1ccc2c(c1)C(/C=C(\F)c1ccc(CNC3CCOCC3)nc1)=NC2)c1c(Cl)cncc1Cl.Cc1cncc(Cl)c1C(C)Oc1ccc2[nH]nc(/C(F)=C/c3ccc(CN4CCC(O)C4)nc3)c2c1.Cc1cncc(Cl)c1C(C)Oc1ccc2[nH]nc(/C(F)=C/c3ccc(CN4CCOCC4)nn3)c2c1.Cc1cncc(Cl)c1C(C)Oc1ccc2n[nH]c(/C=C(\F)c3ccc(CN4CCOCC4)nc3)c2c1.
What is the InChIKey of 4-[[6-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]pyridazin-3-yl]methyl]morpholine;4-[[5-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-2-pyridinyl]methyl]morpholine;1-[[5-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]pyrrolidin-3-ol;N-[[5-[(Z)-2-[6-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3H-isoindol-1-yl]-1-fluoroethenyl]-2-pyridinyl]methyl]oxan-4-amine?
The InChIKey is FHGCPMJXMVVTBB-ZUAAGQEHSA-N. The full InChI is InChI=1S/C28H27Cl2FN4O2.2C27H27ClFN5O2.C26H26ClFN6O2/c1-17(28-24(29)15-32-16-25(28)30)37-22-5-3-18-12-35-27(23(18)10-22)11-26(31)19-2-4-21(33-13-19)14-34-20-6-8-36-9-7-20;1-17-13-30-15-23(28)27(17)18(2)36-21-5-6-25-22(11-21)26(33-32-25)12-24(29)19-3-4-20(31-14-19)16-34-7-9-35-10-8-34;1-16-11-30-13-23(28)26(16)17(2)36-21-5-6-25-22(10-21)27(33-32-25)24(29)9-18-3-4-19(31-12-18)14-34-8-7-20(35)15-34;1-16-13-29-14-22(27)25(16)17(2)36-20-5-6-24-21(12-20)26(33-32-24)23(28)11-18-3-4-19(31-30-18)15-34-7-9-35-10-8-34/h2-5,10-11,13,15-17,20,34H,6-9,12,14H2,1H3;3-6,11-15,18H,7-10,16H2,1-2H3,(H,32,33);3-6,9-13,17,20,35H,7-8,14-15H2,1-2H3,(H,32,33);3-6,11-14,17H,7-10,15H2,1-2H3,(H,32,33)/b26-11-;24-12-;24-9-;23-11-/t17-;;;/m0.../s1.
What are the key properties of 4-[[6-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]pyridazin-3-yl]methyl]morpholine;4-[[5-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-2-pyridinyl]methyl]morpholine;1-[[5-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]pyrrolidin-3-ol;N-[[5-[(Z)-2-[6-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3H-isoindol-1-yl]-1-fluoroethenyl]-2-pyridinyl]methyl]oxan-4-amine?
4-[[6-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]pyridazin-3-yl]methyl]morpholine;4-[[5-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-2-pyridinyl]methyl]morpholine;1-[[5-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]pyrrolidin-3-ol;N-[[5-[(Z)-2-[6-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3H-isoindol-1-yl]-1-fluoroethenyl]-2-pyridinyl]methyl]oxan-4-amine has a molecular weight of 2066.43 g/mol, XLogP of 22.90, 29 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]pyridazin-3-yl]methyl]morpholine;4-[[5-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-2-pyridinyl]methyl]morpholine;1-[[5-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]pyrrolidin-3-ol;N-[[5-[(Z)-2-[6-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3H-isoindol-1-yl]-1-fluoroethenyl]-2-pyridinyl]methyl]oxan-4-amine is sourced from PubChem (CID 158031633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).