3-[(E)-2-[4-[(4-benzylpiperidin-1-yl)methyl]phenyl]ethenyl]-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole;4-[[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]phenyl]methyl]-2-ethylmorpholine;N-[[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]phenyl]methyl]-1-phenylmethanamine;N-[[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]phenyl]methyl]-2-piperidin-1-ylethanamine

C124H123Cl8N17O5 — CID 157120537

About 3-[(E)-2-[4-[(4-benzylpiperidin-1-yl)methyl]phenyl]ethenyl]-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole;4-[[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]phenyl]methyl]-2-ethylmorpholine;N-[[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]phenyl]methyl]-1-phenylmethanamine;N-[[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]phenyl]methyl]-2-piperidin-1-ylethanamine

3-[(E)-2-[4-[(4-benzylpiperidin-1-yl)methyl]phenyl]ethenyl]-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole;4-[[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]phenyl]methyl]-2-ethylmorpholine;N-[[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]phenyl]methyl]-1-phenylmethanamine;N-[[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]phenyl]methyl]-2-piperidin-1-ylethanamine (PubChem CID 157120537) has the molecular formula C124H123Cl8N17O5 and a molecular weight of 2215.09 g/mol. Its IUPAC name is 3-[(E)-2-[4-[(4-benzylpiperidin-1-yl)methyl]phenyl]ethenyl]-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole;4-[[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]phenyl]methyl]-2-ethylmorpholine;N-[[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]phenyl]methyl]-1-phenylmethanamine;N-[[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]phenyl]methyl]-2-piperidin-1-ylethanamine.

Molecular Properties

• Compound Name: 3-[(E)-2-[4-[(4-benzylpiperidin-1-yl)methyl]phenyl]ethenyl]-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole;4-[[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]phenyl]methyl]-2-ethylmorpholine;N-[[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]phenyl]methyl]-1-phenylmethanamine;N-[[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]phenyl]methyl]-2-piperidin-1-ylethanamine
• PubChem CID: 157120537
• Molecular Formula: C124H123Cl8N17O5
• Molecular Weight: 2215.09 g/mol
• Exact Mass: 2209.74
• IUPAC Name: 3-[(E)-2-[4-[(4-benzylpiperidin-1-yl)methyl]phenyl]ethenyl]-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole;4-[[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]phenyl]methyl]-2-ethylmorpholine;N-[[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]phenyl]methyl]-1-phenylmethanamine;N-[[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]phenyl]methyl]-2-piperidin-1-ylethanamine
• SMILES: CC(Oc1ccc2[nH]nc(/C=C/c3ccc(CN4CCC(Cc5ccccc5)CC4)cc3)c2c1)c1c(Cl)cncc1Cl.CC(Oc1ccc2[nH]nc(/C=C/c3ccc(CNCCN4CCCCC4)cc3)c2c1)c1c(Cl)cncc1Cl.CC(Oc1ccc2[nH]nc(/C=C/c3ccc(CNCc4ccccc4)cc3)c2c1)c1c(Cl)cncc1Cl.CCC1CN(Cc2ccc(/C=C/c3n[nH]c4ccc(OC(C)c5c(Cl)cncc5Cl)cc34)cc2)CCO1
• InChI: InChI=1S/C35H34Cl2N4O.C30H33Cl2N5O.C30H26Cl2N4O.C29H30Cl2N4O2/c1-24(35-31(36)21-38-22-32(35)37)42-29-12-14-34-30(20-29)33(39-40-34)13-11-25-7-9-28(10-8-25)23-41-17-15-27(16-18-41)19-26-5-3-2-4-6-26;1-21(30-26(31)19-34-20-27(30)32)38-24-10-12-29-25(17-24)28(35-36-29)11-9-22-5-7-23(8-6-22)18-33-13-16-37-14-3-2-4-15-37;1-20(30-26(31)18-34-19-27(30)32)37-24-12-14-29-25(15-24)28(35-36-29)13-11-21-7-9-23(10-8-21)17-33-16-22-5-3-2-4-6-22;1-3-22-18-35(12-13-36-22)17-21-6-4-20(5-7-21)8-10-27-24-14-23(9-11-28(24)34-33-27)37-19(2)29-25(30)15-32-16-26(29)31/h2-14,20-22,24,27H,15-19,23H2,1H3,(H,39,40);5-12,17,19-21,33H,2-4,13-16,18H2,1H3,(H,35,36);2-15,18-20,33H,16-17H2,1H3,(H,35,36);4-11,14-16,19,22H,3,12-13,17-18H2,1-2H3,(H,33,34)/b13-11+;11-9+;13-11+;10-8+
• InChIKey: AHXLXKICADHXAF-GZZKPBJDSA-N
• XLogP: 31.23
• TPSA: 246.21 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 36
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2215.09
LogP ≤ 5	31.23
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-[4-[(4-benzylpiperidin-1-yl)methyl]phenyl]ethenyl]-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole;4-[[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]phenyl]methyl]-2-ethylmorpholine;N-[[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]phenyl]methyl]-1-phenylmethanamine;N-[[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]phenyl]methyl]-2-piperidin-1-ylethanamine?

The IUPAC name of 3-[(E)-2-[4-[(4-benzylpiperidin-1-yl)methyl]phenyl]ethenyl]-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole;4-[[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]phenyl]methyl]-2-ethylmorpholine;N-[[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]phenyl]methyl]-1-phenylmethanamine;N-[[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]phenyl]methyl]-2-piperidin-1-ylethanamine (CID 157120537) is 3-[(E)-2-[4-[(4-benzylpiperidin-1-yl)methyl]phenyl]ethenyl]-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole;4-[[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]phenyl]methyl]-2-ethylmorpholine;N-[[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]phenyl]methyl]-1-phenylmethanamine;N-[[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]phenyl]methyl]-2-piperidin-1-ylethanamine.

What is the SMILES notation for 3-[(E)-2-[4-[(4-benzylpiperidin-1-yl)methyl]phenyl]ethenyl]-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole;4-[[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]phenyl]methyl]-2-ethylmorpholine;N-[[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]phenyl]methyl]-1-phenylmethanamine;N-[[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]phenyl]methyl]-2-piperidin-1-ylethanamine?

The canonical SMILES for 3-[(E)-2-[4-[(4-benzylpiperidin-1-yl)methyl]phenyl]ethenyl]-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole;4-[[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]phenyl]methyl]-2-ethylmorpholine;N-[[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]phenyl]methyl]-1-phenylmethanamine;N-[[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]phenyl]methyl]-2-piperidin-1-ylethanamine is CC(Oc1ccc2[nH]nc(/C=C/c3ccc(CN4CCC(Cc5ccccc5)CC4)cc3)c2c1)c1c(Cl)cncc1Cl.CC(Oc1ccc2[nH]nc(/C=C/c3ccc(CNCCN4CCCCC4)cc3)c2c1)c1c(Cl)cncc1Cl.CC(Oc1ccc2[nH]nc(/C=C/c3ccc(CNCc4ccccc4)cc3)c2c1)c1c(Cl)cncc1Cl.CCC1CN(Cc2ccc(/C=C/c3n[nH]c4ccc(OC(C)c5c(Cl)cncc5Cl)cc34)cc2)CCO1.

What is the InChIKey of 3-[(E)-2-[4-[(4-benzylpiperidin-1-yl)methyl]phenyl]ethenyl]-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole;4-[[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]phenyl]methyl]-2-ethylmorpholine;N-[[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]phenyl]methyl]-1-phenylmethanamine;N-[[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]phenyl]methyl]-2-piperidin-1-ylethanamine?

The InChIKey is AHXLXKICADHXAF-GZZKPBJDSA-N. The full InChI is InChI=1S/C35H34Cl2N4O.C30H33Cl2N5O.C30H26Cl2N4O.C29H30Cl2N4O2/c1-24(35-31(36)21-38-22-32(35)37)42-29-12-14-34-30(20-29)33(39-40-34)13-11-25-7-9-28(10-8-25)23-41-17-15-27(16-18-41)19-26-5-3-2-4-6-26;1-21(30-26(31)19-34-20-27(30)32)38-24-10-12-29-25(17-24)28(35-36-29)11-9-22-5-7-23(8-6-22)18-33-13-16-37-14-3-2-4-15-37;1-20(30-26(31)18-34-19-27(30)32)37-24-12-14-29-25(15-24)28(35-36-29)13-11-21-7-9-23(10-8-21)17-33-16-22-5-3-2-4-6-22;1-3-22-18-35(12-13-36-22)17-21-6-4-20(5-7-21)8-10-27-24-14-23(9-11-28(24)34-33-27)37-19(2)29-25(30)15-32-16-26(29)31/h2-14,20-22,24,27H,15-19,23H2,1H3,(H,39,40);5-12,17,19-21,33H,2-4,13-16,18H2,1H3,(H,35,36);2-15,18-20,33H,16-17H2,1H3,(H,35,36);4-11,14-16,19,22H,3,12-13,17-18H2,1-2H3,(H,33,34)/b13-11+;11-9+;13-11+;10-8+.

What are the key properties of 3-[(E)-2-[4-[(4-benzylpiperidin-1-yl)methyl]phenyl]ethenyl]-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole;4-[[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]phenyl]methyl]-2-ethylmorpholine;N-[[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]phenyl]methyl]-1-phenylmethanamine;N-[[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]phenyl]methyl]-2-piperidin-1-ylethanamine?

3-[(E)-2-[4-[(4-benzylpiperidin-1-yl)methyl]phenyl]ethenyl]-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole;4-[[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]phenyl]methyl]-2-ethylmorpholine;N-[[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]phenyl]methyl]-1-phenylmethanamine;N-[[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]phenyl]methyl]-2-piperidin-1-ylethanamine has a molecular weight of 2215.09 g/mol, XLogP of 31.23, 36 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(E)-2-[4-[(4-benzylpiperidin-1-yl)methyl]phenyl]ethenyl]-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole;4-[[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]phenyl]methyl]-2-ethylmorpholine;N-[[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]phenyl]methyl]-1-phenylmethanamine;N-[[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]phenyl]methyl]-2-piperidin-1-ylethanamine is sourced from PubChem (CID 157120537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).