[5-chloro-1'-[(E)-3-(4-methylphenyl)prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-methyl-4-pyridinyl)methanone;(2-chloro-6-methyl-4-pyridinyl)-[5-chloro-1'-[(E)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[1'-[(E)-3-(4-methylphenyl)prop-2-enyl]-5-(trifluoromethoxy)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone

C86H79Cl4F8N9O4 — CID 158371423

About [5-chloro-1'-[(E)-3-(4-methylphenyl)prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-methyl-4-pyridinyl)methanone;(2-chloro-6-methyl-4-pyridinyl)-[5-chloro-1'-[(E)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[1'-[(E)-3-(4-methylphenyl)prop-2-enyl]-5-(trifluoromethoxy)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone

[5-chloro-1'-[(E)-3-(4-methylphenyl)prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-methyl-4-pyridinyl)methanone;(2-chloro-6-methyl-4-pyridinyl)-[5-chloro-1'-[(E)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[1'-[(E)-3-(4-methylphenyl)prop-2-enyl]-5-(trifluoromethoxy)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone (PubChem CID 158371423) has the molecular formula C86H79Cl4F8N9O4 and a molecular weight of 1596.43 g/mol. Its IUPAC name is [5-chloro-1'-[(E)-3-(4-methylphenyl)prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-methyl-4-pyridinyl)methanone;(2-chloro-6-methyl-4-pyridinyl)-[5-chloro-1'-[(E)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[1'-[(E)-3-(4-methylphenyl)prop-2-enyl]-5-(trifluoromethoxy)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone.

Molecular Properties

• Compound Name: [5-chloro-1'-[(E)-3-(4-methylphenyl)prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-methyl-4-pyridinyl)methanone;(2-chloro-6-methyl-4-pyridinyl)-[5-chloro-1'-[(E)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[1'-[(E)-3-(4-methylphenyl)prop-2-enyl]-5-(trifluoromethoxy)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone
• PubChem CID: 158371423
• Molecular Formula: C86H79Cl4F8N9O4
• Molecular Weight: 1596.43 g/mol
• Exact Mass: 1593.49
• IUPAC Name: [5-chloro-1'-[(E)-3-(4-methylphenyl)prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-methyl-4-pyridinyl)methanone;(2-chloro-6-methyl-4-pyridinyl)-[5-chloro-1'-[(E)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[1'-[(E)-3-(4-methylphenyl)prop-2-enyl]-5-(trifluoromethoxy)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone
• SMILES: Cc1cc(C(=O)N2CC3(CCN(C/C=C/c4c(F)c(F)c(F)c(F)c4F)CC3)c3cc(Cl)ccc32)cc(Cl)n1.Cc1ccc(/C=C/CN2CCC3(CC2)CN(C(=O)c2ccnc(C)c2)c2ccc(Cl)cc23)cc1.Cc1ccc(/C=C/CN2CCC3(CC2)CN(C(=O)c2ccnc(Cl)c2)c2ccc(OC(F)(F)F)cc23)cc1
• InChI: InChI=1S/C29H27ClF3N3O2.C29H30ClN3O.C28H22Cl2F5N3O/c1-20-4-6-21(7-5-20)3-2-14-35-15-11-28(12-16-35)19-36(27(37)22-10-13-34-26(30)17-22)25-9-8-23(18-24(25)28)38-29(31,32)33;1-21-5-7-23(8-6-21)4-3-15-32-16-12-29(13-17-32)20-33(27-10-9-25(30)19-26(27)29)28(34)24-11-14-31-22(2)18-24;1-15-11-16(12-21(30)36-15)27(39)38-14-28(19-13-17(29)4-5-20(19)38)6-9-37(10-7-28)8-2-3-18-22(31)24(33)26(35)25(34)23(18)32/h2-10,13,17-18H,11-12,14-16,19H2,1H3;3-11,14,18-19H,12-13,15-17,20H2,1-2H3;2-5,11-13H,6-10,14H2,1H3/b3-2+;4-3+;3-2+
• InChIKey: GUQSUFLYHVUZNA-RWOXDNMWSA-N
• XLogP: 19.81
• TPSA: 118.55 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 13
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1596.43
LogP ≤ 5	19.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [5-chloro-1'-[(E)-3-(4-methylphenyl)prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-methyl-4-pyridinyl)methanone;(2-chloro-6-methyl-4-pyridinyl)-[5-chloro-1'-[(E)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[1'-[(E)-3-(4-methylphenyl)prop-2-enyl]-5-(trifluoromethoxy)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone?

The IUPAC name of [5-chloro-1'-[(E)-3-(4-methylphenyl)prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-methyl-4-pyridinyl)methanone;(2-chloro-6-methyl-4-pyridinyl)-[5-chloro-1'-[(E)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[1'-[(E)-3-(4-methylphenyl)prop-2-enyl]-5-(trifluoromethoxy)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone (CID 158371423) is [5-chloro-1'-[(E)-3-(4-methylphenyl)prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-methyl-4-pyridinyl)methanone;(2-chloro-6-methyl-4-pyridinyl)-[5-chloro-1'-[(E)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[1'-[(E)-3-(4-methylphenyl)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-(4-methylphenyl)prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-methyl-4-pyridinyl)methanone;(2-chloro-6-methyl-4-pyridinyl)-[5-chloro-1'-[(E)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[1'-[(E)-3-(4-methylphenyl)prop-2-enyl]-5-(trifluoromethoxy)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone?

The canonical SMILES for [5-chloro-1'-[(E)-3-(4-methylphenyl)prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-methyl-4-pyridinyl)methanone;(2-chloro-6-methyl-4-pyridinyl)-[5-chloro-1'-[(E)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[1'-[(E)-3-(4-methylphenyl)prop-2-enyl]-5-(trifluoromethoxy)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone is Cc1cc(C(=O)N2CC3(CCN(C/C=C/c4c(F)c(F)c(F)c(F)c4F)CC3)c3cc(Cl)ccc32)cc(Cl)n1.Cc1ccc(/C=C/CN2CCC3(CC2)CN(C(=O)c2ccnc(C)c2)c2ccc(Cl)cc23)cc1.Cc1ccc(/C=C/CN2CCC3(CC2)CN(C(=O)c2ccnc(Cl)c2)c2ccc(OC(F)(F)F)cc23)cc1.

What is the InChIKey of [5-chloro-1'-[(E)-3-(4-methylphenyl)prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-methyl-4-pyridinyl)methanone;(2-chloro-6-methyl-4-pyridinyl)-[5-chloro-1'-[(E)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[1'-[(E)-3-(4-methylphenyl)prop-2-enyl]-5-(trifluoromethoxy)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone?

The InChIKey is GUQSUFLYHVUZNA-RWOXDNMWSA-N. The full InChI is InChI=1S/C29H27ClF3N3O2.C29H30ClN3O.C28H22Cl2F5N3O/c1-20-4-6-21(7-5-20)3-2-14-35-15-11-28(12-16-35)19-36(27(37)22-10-13-34-26(30)17-22)25-9-8-23(18-24(25)28)38-29(31,32)33;1-21-5-7-23(8-6-21)4-3-15-32-16-12-29(13-17-32)20-33(27-10-9-25(30)19-26(27)29)28(34)24-11-14-31-22(2)18-24;1-15-11-16(12-21(30)36-15)27(39)38-14-28(19-13-17(29)4-5-20(19)38)6-9-37(10-7-28)8-2-3-18-22(31)24(33)26(35)25(34)23(18)32/h2-10,13,17-18H,11-12,14-16,19H2,1H3;3-11,14,18-19H,12-13,15-17,20H2,1-2H3;2-5,11-13H,6-10,14H2,1H3/b3-2+;4-3+;3-2+.

What are the key properties of [5-chloro-1'-[(E)-3-(4-methylphenyl)prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-methyl-4-pyridinyl)methanone;(2-chloro-6-methyl-4-pyridinyl)-[5-chloro-1'-[(E)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[1'-[(E)-3-(4-methylphenyl)prop-2-enyl]-5-(trifluoromethoxy)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone?

[5-chloro-1'-[(E)-3-(4-methylphenyl)prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-methyl-4-pyridinyl)methanone;(2-chloro-6-methyl-4-pyridinyl)-[5-chloro-1'-[(E)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[1'-[(E)-3-(4-methylphenyl)prop-2-enyl]-5-(trifluoromethoxy)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone has a molecular weight of 1596.43 g/mol, XLogP of 19.81, 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-(4-methylphenyl)prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-methyl-4-pyridinyl)methanone;(2-chloro-6-methyl-4-pyridinyl)-[5-chloro-1'-[(E)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[1'-[(E)-3-(4-methylphenyl)prop-2-enyl]-5-(trifluoromethoxy)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone is sourced from PubChem (CID 158371423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).