[1'-[(E)-3-(4-chloro-2-fluorophenyl)prop-2-enyl]-5-methylspiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone;(2-chloro-4-pyridinyl)-[1'-[(E)-3-(3,4-dichlorophenyl)prop-2-enyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[5-methyl-1'-[(E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone

C85H79Cl6F4N9O5 — CID 162040494

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

[1'-[(E)-3-(4-chloro-2-fluorophenyl)prop-2-enyl]-5-methylspiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone;(2-chloro-4-pyridinyl)-[1'-[(E)-3-(3,4-dichlorophenyl)prop-2-enyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[5-methyl-1'-[(E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone (PubChem CID 162040494) has the molecular formula C85H79Cl6F4N9O5 and a molecular weight of 1595.33 g/mol. Its IUPAC name is [1'-[(E)-3-(4-chloro-2-fluorophenyl)prop-2-enyl]-5-methylspiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone;(2-chloro-4-pyridinyl)-[1'-[(E)-3-(3,4-dichlorophenyl)prop-2-enyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[5-methyl-1'-[(E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone.

Molecular Properties

• Compound Name: [1'-[(E)-3-(4-chloro-2-fluorophenyl)prop-2-enyl]-5-methylspiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone;(2-chloro-4-pyridinyl)-[1'-[(E)-3-(3,4-dichlorophenyl)prop-2-enyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[5-methyl-1'-[(E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone
• PubChem CID: 162040494
• Molecular Formula: C85H79Cl6F4N9O5
• Molecular Weight: 1595.33 g/mol
• Exact Mass: 1591.43
• IUPAC Name: [1'-[(E)-3-(4-chloro-2-fluorophenyl)prop-2-enyl]-5-methylspiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone;(2-chloro-4-pyridinyl)-[1'-[(E)-3-(3,4-dichlorophenyl)prop-2-enyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[5-methyl-1'-[(E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone
• SMILES: COc1ccc2c(c1)C1(CCN(C/C=C/c3ccc(Cl)c(Cl)c3)CC1)CN2C(=O)c1ccnc(Cl)c1.Cc1ccc2c(c1)C1(CCN(C/C=C/c3ccc(Cl)cc3F)CC1)CN2C(=O)c1ccnc(Cl)c1.Cc1ccc2c(c1)C1(CCN(C/C=C/c3ccc(OC(F)(F)F)cc3)CC1)CN2C(=O)c1ccnc(Cl)c1
• InChI: InChI=1S/C29H27ClF3N3O2.C28H26Cl3N3O2.C28H26Cl2FN3O/c1-20-4-9-25-24(17-20)28(19-36(25)27(37)22-10-13-34-26(30)18-22)11-15-35(16-12-28)14-2-3-21-5-7-23(8-6-21)38-29(31,32)33;1-36-21-5-7-25-22(17-21)28(18-34(25)27(35)20-8-11-32-26(31)16-20)9-13-33(14-10-28)12-2-3-19-4-6-23(29)24(30)15-19;1-19-4-7-25-23(15-19)28(18-34(25)27(35)21-8-11-32-26(30)16-21)9-13-33(14-10-28)12-2-3-20-5-6-22(29)17-24(20)31/h2-10,13,17-18H,11-12,14-16,19H2,1H3;2-8,11,15-17H,9-10,12-14,18H2,1H3;2-8,11,15-17H,9-10,12-14,18H2,1H3/b3*3-2+
• InChIKey: YXFGAGIPQLNGFY-FDRFSGEISA-N
• XLogP: 19.95
• TPSA: 127.78 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 14
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1595.33
LogP ≤ 5	19.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

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-chloro-2-fluorophenyl)prop-2-enyl]-5-methylspiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone;(2-chloro-4-pyridinyl)-[1'-[(E)-3-(3,4-dichlorophenyl)prop-2-enyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[5-methyl-1'-[(E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone?

The IUPAC name of [1'-[(E)-3-(4-chloro-2-fluorophenyl)prop-2-enyl]-5-methylspiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone;(2-chloro-4-pyridinyl)-[1'-[(E)-3-(3,4-dichlorophenyl)prop-2-enyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[5-methyl-1'-[(E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone (CID 162040494) is [1'-[(E)-3-(4-chloro-2-fluorophenyl)prop-2-enyl]-5-methylspiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone;(2-chloro-4-pyridinyl)-[1'-[(E)-3-(3,4-dichlorophenyl)prop-2-enyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[5-methyl-1'-[(E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone.

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

The canonical SMILES for [1'-[(E)-3-(4-chloro-2-fluorophenyl)prop-2-enyl]-5-methylspiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone;(2-chloro-4-pyridinyl)-[1'-[(E)-3-(3,4-dichlorophenyl)prop-2-enyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[5-methyl-1'-[(E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone is COc1ccc2c(c1)C1(CCN(C/C=C/c3ccc(Cl)c(Cl)c3)CC1)CN2C(=O)c1ccnc(Cl)c1.Cc1ccc2c(c1)C1(CCN(C/C=C/c3ccc(Cl)cc3F)CC1)CN2C(=O)c1ccnc(Cl)c1.Cc1ccc2c(c1)C1(CCN(C/C=C/c3ccc(OC(F)(F)F)cc3)CC1)CN2C(=O)c1ccnc(Cl)c1.

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

The InChIKey is YXFGAGIPQLNGFY-FDRFSGEISA-N. The full InChI is InChI=1S/C29H27ClF3N3O2.C28H26Cl3N3O2.C28H26Cl2FN3O/c1-20-4-9-25-24(17-20)28(19-36(25)27(37)22-10-13-34-26(30)18-22)11-15-35(16-12-28)14-2-3-21-5-7-23(8-6-21)38-29(31,32)33;1-36-21-5-7-25-22(17-21)28(18-34(25)27(35)20-8-11-32-26(31)16-20)9-13-33(14-10-28)12-2-3-19-4-6-23(29)24(30)15-19;1-19-4-7-25-23(15-19)28(18-34(25)27(35)21-8-11-32-26(30)16-21)9-13-33(14-10-28)12-2-3-20-5-6-22(29)17-24(20)31/h2-10,13,17-18H,11-12,14-16,19H2,1H3;2-8,11,15-17H,9-10,12-14,18H2,1H3;2-8,11,15-17H,9-10,12-14,18H2,1H3/b3*3-2+.

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

[1'-[(E)-3-(4-chloro-2-fluorophenyl)prop-2-enyl]-5-methylspiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone;(2-chloro-4-pyridinyl)-[1'-[(E)-3-(3,4-dichlorophenyl)prop-2-enyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[5-methyl-1'-[(E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone has a molecular weight of 1595.33 g/mol, XLogP of 19.95, 14 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [1'-[(E)-3-(4-chloro-2-fluorophenyl)prop-2-enyl]-5-methylspiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone;(2-chloro-4-pyridinyl)-[1'-[(E)-3-(3,4-dichlorophenyl)prop-2-enyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[5-methyl-1'-[(E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone is sourced from PubChem (CID 162040494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).