6-chloro-3-[(3-chlorophenyl)methyl]-3-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-indol-2-one

C25H21Cl2F3N4O — CID 24951077

About 6-chloro-3-[(3-chlorophenyl)methyl]-3-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-indol-2-one

6-chloro-3-[(3-chlorophenyl)methyl]-3-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-indol-2-one (PubChem CID 24951077) has the molecular formula C25H21Cl2F3N4O and a molecular weight of 521.37 g/mol. Its IUPAC name is 6-chloro-3-[(3-chlorophenyl)methyl]-3-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-indol-2-one.

Molecular Properties

• Compound Name: 6-chloro-3-[(3-chlorophenyl)methyl]-3-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-indol-2-one
• PubChem CID: 24951077
• Molecular Formula: C25H21Cl2F3N4O
• Molecular Weight: 521.37 g/mol
• Exact Mass: 520.10
• IUPAC Name: 6-chloro-3-[(3-chlorophenyl)methyl]-3-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-indol-2-one
• SMILES: O=C1Nc2cc(Cl)ccc2C1(Cc1cccc(Cl)c1)N1CCN(c2ncccc2C(F)(F)F)CC1
• InChI: InChI=1S/C25H21Cl2F3N4O/c26-17-4-1-3-16(13-17)15-24(19-7-6-18(27)14-21(19)32-23(24)35)34-11-9-33(10-12-34)22-20(25(28,29)30)5-2-8-31-22/h1-8,13-14H,9-12,15H2,(H,32,35)
• InChIKey: MXTOGWBJIDZODW-UHFFFAOYSA-N
• XLogP: 5.62
• TPSA: 48.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	521.37
LogP ≤ 5	5.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(3-chlorophenyl)methyl]-3-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-indol-2-one?

The IUPAC name of 6-chloro-3-[(3-chlorophenyl)methyl]-3-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-indol-2-one (CID 24951077) is 6-chloro-3-[(3-chlorophenyl)methyl]-3-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-indol-2-one.

What is the SMILES notation for 6-chloro-3-[(3-chlorophenyl)methyl]-3-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-indol-2-one?

The canonical SMILES for 6-chloro-3-[(3-chlorophenyl)methyl]-3-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-indol-2-one is O=C1Nc2cc(Cl)ccc2C1(Cc1cccc(Cl)c1)N1CCN(c2ncccc2C(F)(F)F)CC1.

What is the InChIKey of 6-chloro-3-[(3-chlorophenyl)methyl]-3-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-indol-2-one?

The InChIKey is MXTOGWBJIDZODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21Cl2F3N4O/c26-17-4-1-3-16(13-17)15-24(19-7-6-18(27)14-21(19)32-23(24)35)34-11-9-33(10-12-34)22-20(25(28,29)30)5-2-8-31-22/h1-8,13-14H,9-12,15H2,(H,32,35).

What are the key properties of 6-chloro-3-[(3-chlorophenyl)methyl]-3-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-indol-2-one?

6-chloro-3-[(3-chlorophenyl)methyl]-3-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-indol-2-one has a molecular weight of 521.37 g/mol, XLogP of 5.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-3-[(3-chlorophenyl)methyl]-3-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-indol-2-one is sourced from PubChem (CID 24951077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).