(2'S,3S,4'R)-6-chloro-4'-(3-chlorophenyl)-2'-(5-fluoro-2-methylphenyl)-6'-piperazin-1-ylspiro[1H-indole-3,3'-4,5-dihydro-2H-pyridine]-2-one

C29H27Cl2FN4O — CID 24876077

About (2'S,3S,4'R)-6-chloro-4'-(3-chlorophenyl)-2'-(5-fluoro-2-methylphenyl)-6'-piperazin-1-ylspiro[1H-indole-3,3'-4,5-dihydro-2H-pyridine]-2-one

(2'S,3S,4'R)-6-chloro-4'-(3-chlorophenyl)-2'-(5-fluoro-2-methylphenyl)-6'-piperazin-1-ylspiro[1H-indole-3,3'-4,5-dihydro-2H-pyridine]-2-one (PubChem CID 24876077) has the molecular formula C29H27Cl2FN4O and a molecular weight of 537.47 g/mol. Its IUPAC name is (2'S,3S,4'R)-6-chloro-4'-(3-chlorophenyl)-2'-(5-fluoro-2-methylphenyl)-6'-piperazin-1-ylspiro[1H-indole-3,3'-4,5-dihydro-2H-pyridine]-2-one.

Molecular Properties

• Compound Name: (2'S,3S,4'R)-6-chloro-4'-(3-chlorophenyl)-2'-(5-fluoro-2-methylphenyl)-6'-piperazin-1-ylspiro[1H-indole-3,3'-4,5-dihydro-2H-pyridine]-2-one
• PubChem CID: 24876077
• Molecular Formula: C29H27Cl2FN4O
• Molecular Weight: 537.47 g/mol
• Exact Mass: 536.15
• IUPAC Name: (2'S,3S,4'R)-6-chloro-4'-(3-chlorophenyl)-2'-(5-fluoro-2-methylphenyl)-6'-piperazin-1-ylspiro[1H-indole-3,3'-4,5-dihydro-2H-pyridine]-2-one
• SMILES: Cc1ccc(F)cc1[C@@H]1N=C(N2CCNCC2)C[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)ccc12
• InChI: InChI=1S/C29H27Cl2FN4O/c1-17-5-7-21(32)15-22(17)27-29(23-8-6-20(31)14-25(23)34-28(29)37)24(18-3-2-4-19(30)13-18)16-26(35-27)36-11-9-33-10-12-36/h2-8,13-15,24,27,33H,9-12,16H2,1H3,(H,34,37)/t24-,27+,29-/m1/s1
• InChIKey: PLGDDCJDWFUWIS-PZFKOMAXSA-N
• XLogP: 5.86
• TPSA: 56.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	537.47
LogP ≤ 5	5.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2'S,3S,4'R)-6-chloro-4'-(3-chlorophenyl)-2'-(5-fluoro-2-methylphenyl)-6'-piperazin-1-ylspiro[1H-indole-3,3'-4,5-dihydro-2H-pyridine]-2-one?

The IUPAC name of (2'S,3S,4'R)-6-chloro-4'-(3-chlorophenyl)-2'-(5-fluoro-2-methylphenyl)-6'-piperazin-1-ylspiro[1H-indole-3,3'-4,5-dihydro-2H-pyridine]-2-one (CID 24876077) is (2'S,3S,4'R)-6-chloro-4'-(3-chlorophenyl)-2'-(5-fluoro-2-methylphenyl)-6'-piperazin-1-ylspiro[1H-indole-3,3'-4,5-dihydro-2H-pyridine]-2-one.

What is the SMILES notation for (2'S,3S,4'R)-6-chloro-4'-(3-chlorophenyl)-2'-(5-fluoro-2-methylphenyl)-6'-piperazin-1-ylspiro[1H-indole-3,3'-4,5-dihydro-2H-pyridine]-2-one?

The canonical SMILES for (2'S,3S,4'R)-6-chloro-4'-(3-chlorophenyl)-2'-(5-fluoro-2-methylphenyl)-6'-piperazin-1-ylspiro[1H-indole-3,3'-4,5-dihydro-2H-pyridine]-2-one is Cc1ccc(F)cc1[C@@H]1N=C(N2CCNCC2)C[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)ccc12.

What is the InChIKey of (2'S,3S,4'R)-6-chloro-4'-(3-chlorophenyl)-2'-(5-fluoro-2-methylphenyl)-6'-piperazin-1-ylspiro[1H-indole-3,3'-4,5-dihydro-2H-pyridine]-2-one?

The InChIKey is PLGDDCJDWFUWIS-PZFKOMAXSA-N. The full InChI is InChI=1S/C29H27Cl2FN4O/c1-17-5-7-21(32)15-22(17)27-29(23-8-6-20(31)14-25(23)34-28(29)37)24(18-3-2-4-19(30)13-18)16-26(35-27)36-11-9-33-10-12-36/h2-8,13-15,24,27,33H,9-12,16H2,1H3,(H,34,37)/t24-,27+,29-/m1/s1.

What are the key properties of (2'S,3S,4'R)-6-chloro-4'-(3-chlorophenyl)-2'-(5-fluoro-2-methylphenyl)-6'-piperazin-1-ylspiro[1H-indole-3,3'-4,5-dihydro-2H-pyridine]-2-one?

(2'S,3S,4'R)-6-chloro-4'-(3-chlorophenyl)-2'-(5-fluoro-2-methylphenyl)-6'-piperazin-1-ylspiro[1H-indole-3,3'-4,5-dihydro-2H-pyridine]-2-one has a molecular weight of 537.47 g/mol, XLogP of 5.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2'S,3S,4'R)-6-chloro-4'-(3-chlorophenyl)-2'-(5-fluoro-2-methylphenyl)-6'-piperazin-1-ylspiro[1H-indole-3,3'-4,5-dihydro-2H-pyridine]-2-one is sourced from PubChem (CID 24876077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).