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

C84H70Cl2F15N9O5 — CID 162172844

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

(2-chloro-4-pyridinyl)-[1'-[(E)-3-(3,4-difluorophenyl)prop-2-enyl]-5-(trifluoromethoxy)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[1'-[(E)-3-(4-fluorophenyl)prop-2-enyl]-5-(trifluoromethoxy)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone;[1'-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-[2-(trifluoromethyl)-4-pyridinyl]methanone (PubChem CID 162172844) has the molecular formula C84H70Cl2F15N9O5 and a molecular weight of 1641.42 g/mol. Its IUPAC name is (2-chloro-4-pyridinyl)-[1'-[(E)-3-(3,4-difluorophenyl)prop-2-enyl]-5-(trifluoromethoxy)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[1'-[(E)-3-(4-fluorophenyl)prop-2-enyl]-5-(trifluoromethoxy)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone;[1'-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-[2-(trifluoromethyl)-4-pyridinyl]methanone.

Molecular Properties

• Compound Name: (2-chloro-4-pyridinyl)-[1'-[(E)-3-(3,4-difluorophenyl)prop-2-enyl]-5-(trifluoromethoxy)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[1'-[(E)-3-(4-fluorophenyl)prop-2-enyl]-5-(trifluoromethoxy)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone;[1'-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-[2-(trifluoromethyl)-4-pyridinyl]methanone
• PubChem CID: 162172844
• Molecular Formula: C84H70Cl2F15N9O5
• Molecular Weight: 1641.42 g/mol
• Exact Mass: 1639.46
• IUPAC Name: (2-chloro-4-pyridinyl)-[1'-[(E)-3-(3,4-difluorophenyl)prop-2-enyl]-5-(trifluoromethoxy)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[1'-[(E)-3-(4-fluorophenyl)prop-2-enyl]-5-(trifluoromethoxy)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone;[1'-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-[2-(trifluoromethyl)-4-pyridinyl]methanone
• SMILES: O=C(c1ccnc(C(F)(F)F)c1)N1CC2(CCN(C/C=C/c3ccc(F)cc3F)CC2)c2cc(F)ccc21.O=C(c1ccnc(Cl)c1)N1CC2(CCN(C/C=C/c3ccc(F)c(F)c3)CC2)c2cc(OC(F)(F)F)ccc21.O=C(c1ccnc(Cl)c1)N1CC2(CCN(C/C=C/c3ccc(F)cc3)CC2)c2cc(OC(F)(F)F)ccc21
• InChI: InChI=1S/C28H23ClF5N3O2.C28H24ClF4N3O2.C28H23F6N3O/c29-25-15-19(7-10-35-25)26(38)37-17-27(21-16-20(4-6-24(21)37)39-28(32,33)34)8-12-36(13-9-27)11-1-2-18-3-5-22(30)23(31)14-18;29-25-16-20(9-12-34-25)26(37)36-18-27(23-17-22(7-8-24(23)36)38-28(31,32)33)10-14-35(15-11-27)13-1-2-19-3-5-21(30)6-4-19;29-20-5-6-24-22(15-20)27(17-37(24)26(38)19-7-10-35-25(14-19)28(32,33)34)8-12-36(13-9-27)11-1-2-18-3-4-21(30)16-23(18)31/h1-7,10,14-16H,8-9,11-13,17H2;1-9,12,16-17H,10-11,13-15,18H2;1-7,10,14-16H,8-9,11-13,17H2/b3*2-1+
• InChIKey: ZNZZBNUYWQVXGL-ONWGBJBRSA-N
• XLogP: 19.32
• TPSA: 127.78 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 14
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1641.42
LogP ≤ 5	19.32
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 (2-chloro-4-pyridinyl)-[1'-[(E)-3-(3,4-difluorophenyl)prop-2-enyl]-5-(trifluoromethoxy)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[1'-[(E)-3-(4-fluorophenyl)prop-2-enyl]-5-(trifluoromethoxy)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone;[1'-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-[2-(trifluoromethyl)-4-pyridinyl]methanone?

The IUPAC name of (2-chloro-4-pyridinyl)-[1'-[(E)-3-(3,4-difluorophenyl)prop-2-enyl]-5-(trifluoromethoxy)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[1'-[(E)-3-(4-fluorophenyl)prop-2-enyl]-5-(trifluoromethoxy)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone;[1'-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-[2-(trifluoromethyl)-4-pyridinyl]methanone (CID 162172844) is (2-chloro-4-pyridinyl)-[1'-[(E)-3-(3,4-difluorophenyl)prop-2-enyl]-5-(trifluoromethoxy)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[1'-[(E)-3-(4-fluorophenyl)prop-2-enyl]-5-(trifluoromethoxy)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone;[1'-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-[2-(trifluoromethyl)-4-pyridinyl]methanone.

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

The canonical SMILES for (2-chloro-4-pyridinyl)-[1'-[(E)-3-(3,4-difluorophenyl)prop-2-enyl]-5-(trifluoromethoxy)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[1'-[(E)-3-(4-fluorophenyl)prop-2-enyl]-5-(trifluoromethoxy)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone;[1'-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-[2-(trifluoromethyl)-4-pyridinyl]methanone is O=C(c1ccnc(C(F)(F)F)c1)N1CC2(CCN(C/C=C/c3ccc(F)cc3F)CC2)c2cc(F)ccc21.O=C(c1ccnc(Cl)c1)N1CC2(CCN(C/C=C/c3ccc(F)c(F)c3)CC2)c2cc(OC(F)(F)F)ccc21.O=C(c1ccnc(Cl)c1)N1CC2(CCN(C/C=C/c3ccc(F)cc3)CC2)c2cc(OC(F)(F)F)ccc21.

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

The InChIKey is ZNZZBNUYWQVXGL-ONWGBJBRSA-N. The full InChI is InChI=1S/C28H23ClF5N3O2.C28H24ClF4N3O2.C28H23F6N3O/c29-25-15-19(7-10-35-25)26(38)37-17-27(21-16-20(4-6-24(21)37)39-28(32,33)34)8-12-36(13-9-27)11-1-2-18-3-5-22(30)23(31)14-18;29-25-16-20(9-12-34-25)26(37)36-18-27(23-17-22(7-8-24(23)36)38-28(31,32)33)10-14-35(15-11-27)13-1-2-19-3-5-21(30)6-4-19;29-20-5-6-24-22(15-20)27(17-37(24)26(38)19-7-10-35-25(14-19)28(32,33)34)8-12-36(13-9-27)11-1-2-18-3-4-21(30)16-23(18)31/h1-7,10,14-16H,8-9,11-13,17H2;1-9,12,16-17H,10-11,13-15,18H2;1-7,10,14-16H,8-9,11-13,17H2/b3*2-1+.

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

(2-chloro-4-pyridinyl)-[1'-[(E)-3-(3,4-difluorophenyl)prop-2-enyl]-5-(trifluoromethoxy)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[1'-[(E)-3-(4-fluorophenyl)prop-2-enyl]-5-(trifluoromethoxy)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone;[1'-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-[2-(trifluoromethyl)-4-pyridinyl]methanone has a molecular weight of 1641.42 g/mol, XLogP of 19.32, 14 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2-chloro-4-pyridinyl)-[1'-[(E)-3-(3,4-difluorophenyl)prop-2-enyl]-5-(trifluoromethoxy)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[1'-[(E)-3-(4-fluorophenyl)prop-2-enyl]-5-(trifluoromethoxy)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone;[1'-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-[2-(trifluoromethyl)-4-pyridinyl]methanone is sourced from PubChem (CID 162172844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).