5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-[dideuterio(piperidin-1-yl)methyl]pyridazin-3-yl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[5-fluoro-2-isocyano-4-(piperidin-1-ylmethyl)phenyl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-(piperidin-1-ylmethyl)phenyl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-(piperidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethenyl]-1H-indazole

C112H107Cl8F4N19O4 — CID 159928563

About 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-[dideuterio(piperidin-1-yl)methyl]pyridazin-3-yl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[5-fluoro-2-isocyano-4-(piperidin-1-ylmethyl)phenyl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-(piperidin-1-ylmethyl)phenyl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-(piperidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethenyl]-1H-indazole

5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-[dideuterio(piperidin-1-yl)methyl]pyridazin-3-yl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[5-fluoro-2-isocyano-4-(piperidin-1-ylmethyl)phenyl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-(piperidin-1-ylmethyl)phenyl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-(piperidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethenyl]-1H-indazole (PubChem CID 159928563) has the molecular formula C112H107Cl8F4N19O4 and a molecular weight of 2144.85 g/mol. Its IUPAC name is 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-[dideuterio(piperidin-1-yl)methyl]pyridazin-3-yl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[5-fluoro-2-isocyano-4-(piperidin-1-ylmethyl)phenyl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-(piperidin-1-ylmethyl)phenyl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-(piperidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethenyl]-1H-indazole.

Molecular Properties

• Compound Name: 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-[dideuterio(piperidin-1-yl)methyl]pyridazin-3-yl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[5-fluoro-2-isocyano-4-(piperidin-1-ylmethyl)phenyl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-(piperidin-1-ylmethyl)phenyl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-(piperidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethenyl]-1H-indazole
• PubChem CID: 159928563
• Molecular Formula: C112H107Cl8F4N19O4
• Molecular Weight: 2144.85 g/mol
• Exact Mass: 2139.63
• IUPAC Name: 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-[dideuterio(piperidin-1-yl)methyl]pyridazin-3-yl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[5-fluoro-2-isocyano-4-(piperidin-1-ylmethyl)phenyl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-(piperidin-1-ylmethyl)phenyl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-(piperidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethenyl]-1H-indazole
• SMILES: CC(Oc1ccc2[nH]nc(/C=C/c3ccc(CN4CCCCC4)c(C(F)(F)F)c3)c2c1)c1c(Cl)cncc1Cl.CC(Oc1ccc2[nH]nc(/C=C/c3ccc(CN4CCCCC4)cc3)c2c1)c1c(Cl)cncc1Cl.[2H]C([2H])(c1ccc(/C=C/c2n[nH]c3ccc(OC(C)c4c(Cl)cncc4Cl)cc23)nn1)N1CCCCC1.[C-]#[N+]c1cc(CN2CCCCC2)c(F)cc1/C=C/c1n[nH]c2ccc(OC(C)c3c(Cl)cncc3Cl)cc12
• InChI: InChI=1S/C29H27Cl2F3N4O.C29H26Cl2FN5O.C28H28Cl2N4O.C26H26Cl2N6O/c1-18(28-24(30)15-35-16-25(28)31)39-21-8-10-27-22(14-21)26(36-37-27)9-6-19-5-7-20(23(13-19)29(32,33)34)17-38-11-3-2-4-12-38;1-18(29-23(30)15-34-16-24(29)31)38-21-7-9-27-22(14-21)26(35-36-27)8-6-19-12-25(32)20(13-28(19)33-2)17-37-10-4-3-5-11-37;1-19(28-24(29)16-31-17-25(28)30)35-22-10-12-27-23(15-22)26(32-33-27)11-9-20-5-7-21(8-6-20)18-34-13-3-2-4-14-34;1-17(26-22(27)14-29-15-23(26)28)35-20-8-10-25-21(13-20)24(32-33-25)9-7-18-5-6-19(31-30-18)16-34-11-3-2-4-12-34/h5-10,13-16,18H,2-4,11-12,17H2,1H3,(H,36,37);6-9,12-16,18H,3-5,10-11,17H2,1H3,(H,35,36);5-12,15-17,19H,2-4,13-14,18H2,1H3,(H,32,33);5-10,13-15,17H,2-4,11-12,16H2,1H3,(H,32,33)/b9-6+;8-6+;11-9+;9-7+/i;;;16D2
• InChIKey: NZIMBFBIQFJEGE-KLWDIYHYSA-N
• XLogP: 30.74
• TPSA: 246.30 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 28
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2144.85
LogP ≤ 5	30.74
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-[dideuterio(piperidin-1-yl)methyl]pyridazin-3-yl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[5-fluoro-2-isocyano-4-(piperidin-1-ylmethyl)phenyl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-(piperidin-1-ylmethyl)phenyl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-(piperidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethenyl]-1H-indazole?

The IUPAC name of 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-[dideuterio(piperidin-1-yl)methyl]pyridazin-3-yl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[5-fluoro-2-isocyano-4-(piperidin-1-ylmethyl)phenyl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-(piperidin-1-ylmethyl)phenyl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-(piperidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethenyl]-1H-indazole (CID 159928563) is 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-[dideuterio(piperidin-1-yl)methyl]pyridazin-3-yl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[5-fluoro-2-isocyano-4-(piperidin-1-ylmethyl)phenyl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-(piperidin-1-ylmethyl)phenyl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-(piperidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethenyl]-1H-indazole.

What is the SMILES notation for 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-[dideuterio(piperidin-1-yl)methyl]pyridazin-3-yl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[5-fluoro-2-isocyano-4-(piperidin-1-ylmethyl)phenyl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-(piperidin-1-ylmethyl)phenyl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-(piperidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethenyl]-1H-indazole?

The canonical SMILES for 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-[dideuterio(piperidin-1-yl)methyl]pyridazin-3-yl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[5-fluoro-2-isocyano-4-(piperidin-1-ylmethyl)phenyl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-(piperidin-1-ylmethyl)phenyl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-(piperidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethenyl]-1H-indazole is CC(Oc1ccc2[nH]nc(/C=C/c3ccc(CN4CCCCC4)c(C(F)(F)F)c3)c2c1)c1c(Cl)cncc1Cl.CC(Oc1ccc2[nH]nc(/C=C/c3ccc(CN4CCCCC4)cc3)c2c1)c1c(Cl)cncc1Cl.[2H]C([2H])(c1ccc(/C=C/c2n[nH]c3ccc(OC(C)c4c(Cl)cncc4Cl)cc23)nn1)N1CCCCC1.[C-]#[N+]c1cc(CN2CCCCC2)c(F)cc1/C=C/c1n[nH]c2ccc(OC(C)c3c(Cl)cncc3Cl)cc12.

What is the InChIKey of 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-[dideuterio(piperidin-1-yl)methyl]pyridazin-3-yl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[5-fluoro-2-isocyano-4-(piperidin-1-ylmethyl)phenyl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-(piperidin-1-ylmethyl)phenyl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-(piperidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethenyl]-1H-indazole?

The InChIKey is NZIMBFBIQFJEGE-KLWDIYHYSA-N. The full InChI is InChI=1S/C29H27Cl2F3N4O.C29H26Cl2FN5O.C28H28Cl2N4O.C26H26Cl2N6O/c1-18(28-24(30)15-35-16-25(28)31)39-21-8-10-27-22(14-21)26(36-37-27)9-6-19-5-7-20(23(13-19)29(32,33)34)17-38-11-3-2-4-12-38;1-18(29-23(30)15-34-16-24(29)31)38-21-7-9-27-22(14-21)26(35-36-27)8-6-19-12-25(32)20(13-28(19)33-2)17-37-10-4-3-5-11-37;1-19(28-24(29)16-31-17-25(28)30)35-22-10-12-27-23(15-22)26(32-33-27)11-9-20-5-7-21(8-6-20)18-34-13-3-2-4-14-34;1-17(26-22(27)14-29-15-23(26)28)35-20-8-10-25-21(13-20)24(32-33-25)9-7-18-5-6-19(31-30-18)16-34-11-3-2-4-12-34/h5-10,13-16,18H,2-4,11-12,17H2,1H3,(H,36,37);6-9,12-16,18H,3-5,10-11,17H2,1H3,(H,35,36);5-12,15-17,19H,2-4,13-14,18H2,1H3,(H,32,33);5-10,13-15,17H,2-4,11-12,16H2,1H3,(H,32,33)/b9-6+;8-6+;11-9+;9-7+/i;;;16D2.

What are the key properties of 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-[dideuterio(piperidin-1-yl)methyl]pyridazin-3-yl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[5-fluoro-2-isocyano-4-(piperidin-1-ylmethyl)phenyl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-(piperidin-1-ylmethyl)phenyl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-(piperidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethenyl]-1H-indazole?

5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-[dideuterio(piperidin-1-yl)methyl]pyridazin-3-yl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[5-fluoro-2-isocyano-4-(piperidin-1-ylmethyl)phenyl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-(piperidin-1-ylmethyl)phenyl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-(piperidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethenyl]-1H-indazole has a molecular weight of 2144.85 g/mol, XLogP of 30.74, 28 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-[dideuterio(piperidin-1-yl)methyl]pyridazin-3-yl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[5-fluoro-2-isocyano-4-(piperidin-1-ylmethyl)phenyl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-(piperidin-1-ylmethyl)phenyl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-(piperidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethenyl]-1H-indazole is sourced from PubChem (CID 159928563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).