[5-chloro-1'-[(E)-3-(2-chlorophenyl)prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone;(2-chloro-4-pyridinyl)-[5,7-dichloro-1'-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[1'-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-5-(trifluoromethoxy)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone

C82H69Cl7F7N9O4 — CID 161243969

About [5-chloro-1'-[(E)-3-(2-chlorophenyl)prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone;(2-chloro-4-pyridinyl)-[5,7-dichloro-1'-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[1'-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-5-(trifluoromethoxy)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone

[5-chloro-1'-[(E)-3-(2-chlorophenyl)prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone;(2-chloro-4-pyridinyl)-[5,7-dichloro-1'-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[1'-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-5-(trifluoromethoxy)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone (PubChem CID 161243969) has the molecular formula C82H69Cl7F7N9O4 and a molecular weight of 1625.67 g/mol. Its IUPAC name is [5-chloro-1'-[(E)-3-(2-chlorophenyl)prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone;(2-chloro-4-pyridinyl)-[5,7-dichloro-1'-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[1'-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-5-(trifluoromethoxy)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone.

Molecular Properties

• Compound Name: [5-chloro-1'-[(E)-3-(2-chlorophenyl)prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone;(2-chloro-4-pyridinyl)-[5,7-dichloro-1'-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[1'-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-5-(trifluoromethoxy)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone
• PubChem CID: 161243969
• Molecular Formula: C82H69Cl7F7N9O4
• Molecular Weight: 1625.67 g/mol
• Exact Mass: 1621.32
• IUPAC Name: [5-chloro-1'-[(E)-3-(2-chlorophenyl)prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone;(2-chloro-4-pyridinyl)-[5,7-dichloro-1'-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[1'-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-5-(trifluoromethoxy)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone
• SMILES: O=C(c1ccnc(Cl)c1)N1CC2(CCN(C/C=C/c3ccc(F)cc3F)CC2)c2cc(Cl)cc(Cl)c21.O=C(c1ccnc(Cl)c1)N1CC2(CCN(C/C=C/c3ccc(F)cc3F)CC2)c2cc(OC(F)(F)F)ccc21.O=C(c1ccnc(Cl)c1)N1CC2(CCN(C/C=C/c3ccccc3Cl)CC2)c2cc(Cl)ccc21
• InChI: InChI=1S/C28H23ClF5N3O2.C27H22Cl3F2N3O.C27H24Cl3N3O/c29-25-14-19(7-10-35-25)26(38)37-17-27(22-16-21(5-6-24(22)37)39-28(32,33)34)8-12-36(13-9-27)11-1-2-18-3-4-20(30)15-23(18)31;28-19-13-21-25(22(29)14-19)35(26(36)18-5-8-33-24(30)12-18)16-27(21)6-10-34(11-7-27)9-1-2-17-3-4-20(31)15-23(17)32;28-21-7-8-24-22(17-21)27(18-33(24)26(34)20-9-12-31-25(30)16-20)10-14-32(15-11-27)13-3-5-19-4-1-2-6-23(19)29/h1-7,10,14-16H,8-9,11-13,17H2;1-5,8,12-15H,6-7,9-11,16H2;1-9,12,16-17H,10-11,13-15,18H2/b2*2-1+;5-3+
• InChIKey: VAJNTPXPRHUMHP-XCEAFAQFSA-N
• XLogP: 20.40
• TPSA: 118.55 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 13
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1625.67
LogP ≤ 5	20.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [5-chloro-1'-[(E)-3-(2-chlorophenyl)prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone;(2-chloro-4-pyridinyl)-[5,7-dichloro-1'-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[1'-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-5-(trifluoromethoxy)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone?

The IUPAC name of [5-chloro-1'-[(E)-3-(2-chlorophenyl)prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone;(2-chloro-4-pyridinyl)-[5,7-dichloro-1'-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[1'-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-5-(trifluoromethoxy)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone (CID 161243969) is [5-chloro-1'-[(E)-3-(2-chlorophenyl)prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone;(2-chloro-4-pyridinyl)-[5,7-dichloro-1'-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[1'-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-5-(trifluoromethoxy)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone.

What is the SMILES notation for [5-chloro-1'-[(E)-3-(2-chlorophenyl)prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone;(2-chloro-4-pyridinyl)-[5,7-dichloro-1'-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[1'-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-5-(trifluoromethoxy)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone?

The canonical SMILES for [5-chloro-1'-[(E)-3-(2-chlorophenyl)prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone;(2-chloro-4-pyridinyl)-[5,7-dichloro-1'-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[1'-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-5-(trifluoromethoxy)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone is O=C(c1ccnc(Cl)c1)N1CC2(CCN(C/C=C/c3ccc(F)cc3F)CC2)c2cc(Cl)cc(Cl)c21.O=C(c1ccnc(Cl)c1)N1CC2(CCN(C/C=C/c3ccc(F)cc3F)CC2)c2cc(OC(F)(F)F)ccc21.O=C(c1ccnc(Cl)c1)N1CC2(CCN(C/C=C/c3ccccc3Cl)CC2)c2cc(Cl)ccc21.

What is the InChIKey of [5-chloro-1'-[(E)-3-(2-chlorophenyl)prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone;(2-chloro-4-pyridinyl)-[5,7-dichloro-1'-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[1'-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-5-(trifluoromethoxy)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone?

The InChIKey is VAJNTPXPRHUMHP-XCEAFAQFSA-N. The full InChI is InChI=1S/C28H23ClF5N3O2.C27H22Cl3F2N3O.C27H24Cl3N3O/c29-25-14-19(7-10-35-25)26(38)37-17-27(22-16-21(5-6-24(22)37)39-28(32,33)34)8-12-36(13-9-27)11-1-2-18-3-4-20(30)15-23(18)31;28-19-13-21-25(22(29)14-19)35(26(36)18-5-8-33-24(30)12-18)16-27(21)6-10-34(11-7-27)9-1-2-17-3-4-20(31)15-23(17)32;28-21-7-8-24-22(17-21)27(18-33(24)26(34)20-9-12-31-25(30)16-20)10-14-32(15-11-27)13-3-5-19-4-1-2-6-23(19)29/h1-7,10,14-16H,8-9,11-13,17H2;1-5,8,12-15H,6-7,9-11,16H2;1-9,12,16-17H,10-11,13-15,18H2/b2*2-1+;5-3+.

What are the key properties of [5-chloro-1'-[(E)-3-(2-chlorophenyl)prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone;(2-chloro-4-pyridinyl)-[5,7-dichloro-1'-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[1'-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-5-(trifluoromethoxy)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone?

[5-chloro-1'-[(E)-3-(2-chlorophenyl)prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone;(2-chloro-4-pyridinyl)-[5,7-dichloro-1'-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[1'-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-5-(trifluoromethoxy)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone has a molecular weight of 1625.67 g/mol, XLogP of 20.40, 13 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [5-chloro-1'-[(E)-3-(2-chlorophenyl)prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone;(2-chloro-4-pyridinyl)-[5,7-dichloro-1'-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[1'-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-5-(trifluoromethoxy)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone is sourced from PubChem (CID 161243969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).