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

C86H84Cl3F4N9O4 — CID 162087279

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

(2-chloro-4-pyridinyl)-[1'-[(E)-3-(2-fluorophenyl)prop-2-enyl]-5-methylspiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[5-methoxy-1'-[(E)-3-(4-methylphenyl)prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[5-methyl-1'-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone (PubChem CID 162087279) has the molecular formula C86H84Cl3F4N9O4 and a molecular weight of 1490.03 g/mol. Its IUPAC name is (2-chloro-4-pyridinyl)-[1'-[(E)-3-(2-fluorophenyl)prop-2-enyl]-5-methylspiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[5-methoxy-1'-[(E)-3-(4-methylphenyl)prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[5-methyl-1'-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone.

Molecular Properties

• Compound Name: (2-chloro-4-pyridinyl)-[1'-[(E)-3-(2-fluorophenyl)prop-2-enyl]-5-methylspiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[5-methoxy-1'-[(E)-3-(4-methylphenyl)prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[5-methyl-1'-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone
• PubChem CID: 162087279
• Molecular Formula: C86H84Cl3F4N9O4
• Molecular Weight: 1490.03 g/mol
• Exact Mass: 1487.56
• IUPAC Name: (2-chloro-4-pyridinyl)-[1'-[(E)-3-(2-fluorophenyl)prop-2-enyl]-5-methylspiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[5-methoxy-1'-[(E)-3-(4-methylphenyl)prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[5-methyl-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)cc3)CC1)CN2C(=O)c1ccnc(Cl)c1.Cc1ccc2c(c1)C1(CCN(C/C=C/c3ccc(C(F)(F)F)cc3)CC1)CN2C(=O)c1ccnc(Cl)c1.Cc1ccc2c(c1)C1(CCN(C/C=C/c3ccccc3F)CC1)CN2C(=O)c1ccnc(Cl)c1
• InChI: InChI=1S/C29H27ClF3N3O.C29H30ClN3O2.C28H27ClFN3O/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)29(31,32)33;1-21-5-7-22(8-6-21)4-3-15-32-16-12-29(13-17-32)20-33(26-10-9-24(35-2)19-25(26)29)28(34)23-11-14-31-27(30)18-23;1-20-8-9-25-23(17-20)28(19-33(25)27(34)22-10-13-31-26(29)18-22)11-15-32(16-12-28)14-4-6-21-5-2-3-7-24(21)30/h2-10,13,17-18H,11-12,14-16,19H2,1H3;3-11,14,18-19H,12-13,15-17,20H2,1-2H3;2-10,13,17-18H,11-12,14-16,19H2,1H3/b3-2+;4-3+;6-4+
• InChIKey: ZDDDBGDPMKXPJL-NYOXBNCCSA-N
• XLogP: 18.42
• TPSA: 118.55 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 13
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1490.03
LogP ≤ 5	18.42
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 (2-chloro-4-pyridinyl)-[1'-[(E)-3-(2-fluorophenyl)prop-2-enyl]-5-methylspiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[5-methoxy-1'-[(E)-3-(4-methylphenyl)prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[5-methyl-1'-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone?

The IUPAC name of (2-chloro-4-pyridinyl)-[1'-[(E)-3-(2-fluorophenyl)prop-2-enyl]-5-methylspiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[5-methoxy-1'-[(E)-3-(4-methylphenyl)prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[5-methyl-1'-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone (CID 162087279) is (2-chloro-4-pyridinyl)-[1'-[(E)-3-(2-fluorophenyl)prop-2-enyl]-5-methylspiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[5-methoxy-1'-[(E)-3-(4-methylphenyl)prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[5-methyl-1'-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone.

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

The canonical SMILES for (2-chloro-4-pyridinyl)-[1'-[(E)-3-(2-fluorophenyl)prop-2-enyl]-5-methylspiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[5-methoxy-1'-[(E)-3-(4-methylphenyl)prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[5-methyl-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)cc3)CC1)CN2C(=O)c1ccnc(Cl)c1.Cc1ccc2c(c1)C1(CCN(C/C=C/c3ccc(C(F)(F)F)cc3)CC1)CN2C(=O)c1ccnc(Cl)c1.Cc1ccc2c(c1)C1(CCN(C/C=C/c3ccccc3F)CC1)CN2C(=O)c1ccnc(Cl)c1.

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

The InChIKey is ZDDDBGDPMKXPJL-NYOXBNCCSA-N. The full InChI is InChI=1S/C29H27ClF3N3O.C29H30ClN3O2.C28H27ClFN3O/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)29(31,32)33;1-21-5-7-22(8-6-21)4-3-15-32-16-12-29(13-17-32)20-33(26-10-9-24(35-2)19-25(26)29)28(34)23-11-14-31-27(30)18-23;1-20-8-9-25-23(17-20)28(19-33(25)27(34)22-10-13-31-26(29)18-22)11-15-32(16-12-28)14-4-6-21-5-2-3-7-24(21)30/h2-10,13,17-18H,11-12,14-16,19H2,1H3;3-11,14,18-19H,12-13,15-17,20H2,1-2H3;2-10,13,17-18H,11-12,14-16,19H2,1H3/b3-2+;4-3+;6-4+.

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

(2-chloro-4-pyridinyl)-[1'-[(E)-3-(2-fluorophenyl)prop-2-enyl]-5-methylspiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[5-methoxy-1'-[(E)-3-(4-methylphenyl)prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[5-methyl-1'-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone has a molecular weight of 1490.03 g/mol, XLogP of 18.42, 13 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2-chloro-4-pyridinyl)-[1'-[(E)-3-(2-fluorophenyl)prop-2-enyl]-5-methylspiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[5-methoxy-1'-[(E)-3-(4-methylphenyl)prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[5-methyl-1'-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone is sourced from PubChem (CID 162087279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).