[1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone;(2-chloro-4-pyridinyl)-[1'-[(E)-3-(4-fluorophenyl)prop-2-enyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[5-methoxy-1'-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone

C85H81Cl4F4N9O6 — CID 160535489

About [1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone;(2-chloro-4-pyridinyl)-[1'-[(E)-3-(4-fluorophenyl)prop-2-enyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[5-methoxy-1'-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone

[1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone;(2-chloro-4-pyridinyl)-[1'-[(E)-3-(4-fluorophenyl)prop-2-enyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[5-methoxy-1'-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone (PubChem CID 160535489) has the molecular formula C85H81Cl4F4N9O6 and a molecular weight of 1542.44 g/mol. Its IUPAC name is [1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone;(2-chloro-4-pyridinyl)-[1'-[(E)-3-(4-fluorophenyl)prop-2-enyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[5-methoxy-1'-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone.

Molecular Properties

• Compound Name: [1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone;(2-chloro-4-pyridinyl)-[1'-[(E)-3-(4-fluorophenyl)prop-2-enyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[5-methoxy-1'-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone
• PubChem CID: 160535489
• Molecular Formula: C85H81Cl4F4N9O6
• Molecular Weight: 1542.44 g/mol
• Exact Mass: 1539.50
• IUPAC Name: [1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone;(2-chloro-4-pyridinyl)-[1'-[(E)-3-(4-fluorophenyl)prop-2-enyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[5-methoxy-1'-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone
• SMILES: COc1ccc2c(c1)C1(CCN(C/C=C/c3ccc(C(F)(F)F)cc3)CC1)CN2C(=O)c1ccnc(Cl)c1.COc1ccc2c(c1)C1(CCN(C/C=C/c3ccc(Cl)cc3)CC1)CN2C(=O)c1ccnc(Cl)c1.COc1ccc2c(c1)C1(CCN(C/C=C/c3ccc(F)cc3)CC1)CN2C(=O)c1ccnc(Cl)c1
• InChI: InChI=1S/C29H27ClF3N3O2.C28H27Cl2N3O2.C28H27ClFN3O2/c1-38-23-8-9-25-24(18-23)28(19-36(25)27(37)21-10-13-34-26(30)17-21)11-15-35(16-12-28)14-2-3-20-4-6-22(7-5-20)29(31,32)33;1-35-23-8-9-25-24(18-23)28(19-33(25)27(34)21-10-13-31-26(30)17-21)11-15-32(16-12-28)14-2-3-20-4-6-22(29)7-5-20;1-35-23-8-9-25-24(18-23)28(19-33(25)27(34)21-10-13-31-26(29)17-21)11-15-32(16-12-28)14-2-3-20-4-6-22(30)7-5-20/h2-10,13,17-18H,11-12,14-16,19H2,1H3;2*2-10,13,17-18H,11-12,14-16,19H2,1H3/b3*3-2+
• InChIKey: QWCDXDKGRQDDRT-FDRFSGEISA-N
• XLogP: 18.16
• TPSA: 137.01 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 15
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1542.44
LogP ≤ 5	18.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone;(2-chloro-4-pyridinyl)-[1'-[(E)-3-(4-fluorophenyl)prop-2-enyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[5-methoxy-1'-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone?

The IUPAC name of [1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone;(2-chloro-4-pyridinyl)-[1'-[(E)-3-(4-fluorophenyl)prop-2-enyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[5-methoxy-1'-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone (CID 160535489) is [1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone;(2-chloro-4-pyridinyl)-[1'-[(E)-3-(4-fluorophenyl)prop-2-enyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[5-methoxy-1'-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone.

What is the SMILES notation for [1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone;(2-chloro-4-pyridinyl)-[1'-[(E)-3-(4-fluorophenyl)prop-2-enyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[5-methoxy-1'-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone?

The canonical SMILES for [1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone;(2-chloro-4-pyridinyl)-[1'-[(E)-3-(4-fluorophenyl)prop-2-enyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[5-methoxy-1'-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone is COc1ccc2c(c1)C1(CCN(C/C=C/c3ccc(C(F)(F)F)cc3)CC1)CN2C(=O)c1ccnc(Cl)c1.COc1ccc2c(c1)C1(CCN(C/C=C/c3ccc(Cl)cc3)CC1)CN2C(=O)c1ccnc(Cl)c1.COc1ccc2c(c1)C1(CCN(C/C=C/c3ccc(F)cc3)CC1)CN2C(=O)c1ccnc(Cl)c1.

What is the InChIKey of [1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone;(2-chloro-4-pyridinyl)-[1'-[(E)-3-(4-fluorophenyl)prop-2-enyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[5-methoxy-1'-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone?

The InChIKey is QWCDXDKGRQDDRT-FDRFSGEISA-N. The full InChI is InChI=1S/C29H27ClF3N3O2.C28H27Cl2N3O2.C28H27ClFN3O2/c1-38-23-8-9-25-24(18-23)28(19-36(25)27(37)21-10-13-34-26(30)17-21)11-15-35(16-12-28)14-2-3-20-4-6-22(7-5-20)29(31,32)33;1-35-23-8-9-25-24(18-23)28(19-33(25)27(34)21-10-13-31-26(30)17-21)11-15-32(16-12-28)14-2-3-20-4-6-22(29)7-5-20;1-35-23-8-9-25-24(18-23)28(19-33(25)27(34)21-10-13-31-26(29)17-21)11-15-32(16-12-28)14-2-3-20-4-6-22(30)7-5-20/h2-10,13,17-18H,11-12,14-16,19H2,1H3;2*2-10,13,17-18H,11-12,14-16,19H2,1H3/b3*3-2+.

What are the key properties of [1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone;(2-chloro-4-pyridinyl)-[1'-[(E)-3-(4-fluorophenyl)prop-2-enyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[5-methoxy-1'-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone?

[1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone;(2-chloro-4-pyridinyl)-[1'-[(E)-3-(4-fluorophenyl)prop-2-enyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[5-methoxy-1'-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone has a molecular weight of 1542.44 g/mol, XLogP of 18.16, 15 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for [1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone;(2-chloro-4-pyridinyl)-[1'-[(E)-3-(4-fluorophenyl)prop-2-enyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[5-methoxy-1'-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone is sourced from PubChem (CID 160535489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).