2-[(3-fluoro-2-methylphenyl)methyl]-1-(4-fluorophenyl)-3-piperazin-1-ylindol-6-ol

C26H25F2N3O — CID 90801225

IUPAC2-[(3-fluoro-2-methylphenyl)methyl]-1-(4-fluorophenyl)-3-piperazin-1-ylindol-6-ol
SMILESCc1c(F)cccc1Cc1c(N2CCNCC2)c2ccc(O)cc2n1-c1ccc(F)cc1
InChIInChI=1S/C26H25F2N3O/c1-17-18(3-2-4-23(17)28)15-25-26(30-13-11-29-12-14-30)22-10-9-21(32)16-24(22)31(25)20-7-5-19(27)6-8-20/h2-10,16,29,32H,11-15H2,1H3
InChIKeyQLNDFXOYKKIKPR-UHFFFAOYSA-N
MW433.50 g/mol
LogP4.92
Rot. Bonds4

About 2-[(3-fluoro-2-methylphenyl)methyl]-1-(4-fluorophenyl)-3-piperazin-1-ylindol-6-ol

2-[(3-fluoro-2-methylphenyl)methyl]-1-(4-fluorophenyl)-3-piperazin-1-ylindol-6-ol (PubChem CID 90801225) has the molecular formula C26H25F2N3O and a molecular weight of 433.50 g/mol. Its IUPAC name is 2-[(3-fluoro-2-methylphenyl)methyl]-1-(4-fluorophenyl)-3-piperazin-1-ylindol-6-ol.

Molecular Properties

Compound Name2-[(3-fluoro-2-methylphenyl)methyl]-1-(4-fluorophenyl)-3-piperazin-1-ylindol-6-ol
PubChem CID90801225
Molecular FormulaC26H25F2N3O
Molecular Weight433.50 g/mol
Exact Mass433.20
IUPAC Name2-[(3-fluoro-2-methylphenyl)methyl]-1-(4-fluorophenyl)-3-piperazin-1-ylindol-6-ol
SMILESCc1c(F)cccc1Cc1c(N2CCNCC2)c2ccc(O)cc2n1-c1ccc(F)cc1
InChIInChI=1S/C26H25F2N3O/c1-17-18(3-2-4-23(17)28)15-25-26(30-13-11-29-12-14-30)22-10-9-21(32)16-24(22)31(25)20-7-5-19(27)6-8-20/h2-10,16,29,32H,11-15H2,1H3
InChIKeyQLNDFXOYKKIKPR-UHFFFAOYSA-N
XLogP4.92
TPSA40.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.50
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-2-methylphenyl)methyl]-1-(4-fluorophenyl)-3-piperazin-1-ylindol-6-ol?
The IUPAC name of 2-[(3-fluoro-2-methylphenyl)methyl]-1-(4-fluorophenyl)-3-piperazin-1-ylindol-6-ol (CID 90801225) is 2-[(3-fluoro-2-methylphenyl)methyl]-1-(4-fluorophenyl)-3-piperazin-1-ylindol-6-ol.
What is the SMILES notation for 2-[(3-fluoro-2-methylphenyl)methyl]-1-(4-fluorophenyl)-3-piperazin-1-ylindol-6-ol?
The canonical SMILES for 2-[(3-fluoro-2-methylphenyl)methyl]-1-(4-fluorophenyl)-3-piperazin-1-ylindol-6-ol is Cc1c(F)cccc1Cc1c(N2CCNCC2)c2ccc(O)cc2n1-c1ccc(F)cc1.
What is the InChIKey of 2-[(3-fluoro-2-methylphenyl)methyl]-1-(4-fluorophenyl)-3-piperazin-1-ylindol-6-ol?
The InChIKey is QLNDFXOYKKIKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2N3O/c1-17-18(3-2-4-23(17)28)15-25-26(30-13-11-29-12-14-30)22-10-9-21(32)16-24(22)31(25)20-7-5-19(27)6-8-20/h2-10,16,29,32H,11-15H2,1H3.
What are the key properties of 2-[(3-fluoro-2-methylphenyl)methyl]-1-(4-fluorophenyl)-3-piperazin-1-ylindol-6-ol?
2-[(3-fluoro-2-methylphenyl)methyl]-1-(4-fluorophenyl)-3-piperazin-1-ylindol-6-ol has a molecular weight of 433.50 g/mol, XLogP of 4.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-2-methylphenyl)methyl]-1-(4-fluorophenyl)-3-piperazin-1-ylindol-6-ol is sourced from PubChem (CID 90801225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).