1-[4-[[1-[(3-fluorophenyl)methyl]indol-3-yl]methyl]piperazin-1-yl]-2-pyrazin-2-ylethanone

C26H26FN5O — CID 58347786

IUPAC1-[4-[[1-[(3-fluorophenyl)methyl]indol-3-yl]methyl]piperazin-1-yl]-2-pyrazin-2-ylethanone
SMILESO=C(Cc1cnccn1)N1CCN(Cc2cn(Cc3cccc(F)c3)c3ccccc23)CC1
InChIInChI=1S/C26H26FN5O/c27-22-5-3-4-20(14-22)17-32-19-21(24-6-1-2-7-25(24)32)18-30-10-12-31(13-11-30)26(33)15-23-16-28-8-9-29-23/h1-9,14,16,19H,10-13,15,17-18H2
InChIKeyNOBZRUQKYMYOBR-UHFFFAOYSA-N
MW443.53 g/mol
LogP3.51
Rot. Bonds6

About 1-[4-[[1-[(3-fluorophenyl)methyl]indol-3-yl]methyl]piperazin-1-yl]-2-pyrazin-2-ylethanone

1-[4-[[1-[(3-fluorophenyl)methyl]indol-3-yl]methyl]piperazin-1-yl]-2-pyrazin-2-ylethanone (PubChem CID 58347786) has the molecular formula C26H26FN5O and a molecular weight of 443.53 g/mol. Its IUPAC name is 1-[4-[[1-[(3-fluorophenyl)methyl]indol-3-yl]methyl]piperazin-1-yl]-2-pyrazin-2-ylethanone.

Molecular Properties

Compound Name1-[4-[[1-[(3-fluorophenyl)methyl]indol-3-yl]methyl]piperazin-1-yl]-2-pyrazin-2-ylethanone
PubChem CID58347786
Molecular FormulaC26H26FN5O
Molecular Weight443.53 g/mol
Exact Mass443.21
IUPAC Name1-[4-[[1-[(3-fluorophenyl)methyl]indol-3-yl]methyl]piperazin-1-yl]-2-pyrazin-2-ylethanone
SMILESO=C(Cc1cnccn1)N1CCN(Cc2cn(Cc3cccc(F)c3)c3ccccc23)CC1
InChIInChI=1S/C26H26FN5O/c27-22-5-3-4-20(14-22)17-32-19-21(24-6-1-2-7-25(24)32)18-30-10-12-31(13-11-30)26(33)15-23-16-28-8-9-29-23/h1-9,14,16,19H,10-13,15,17-18H2
InChIKeyNOBZRUQKYMYOBR-UHFFFAOYSA-N
XLogP3.51
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[1-[(3-fluorophenyl)methyl]indol-3-yl]methyl]piperazin-1-yl]-2-pyrazin-2-ylethanone?
The IUPAC name of 1-[4-[[1-[(3-fluorophenyl)methyl]indol-3-yl]methyl]piperazin-1-yl]-2-pyrazin-2-ylethanone (CID 58347786) is 1-[4-[[1-[(3-fluorophenyl)methyl]indol-3-yl]methyl]piperazin-1-yl]-2-pyrazin-2-ylethanone.
What is the SMILES notation for 1-[4-[[1-[(3-fluorophenyl)methyl]indol-3-yl]methyl]piperazin-1-yl]-2-pyrazin-2-ylethanone?
The canonical SMILES for 1-[4-[[1-[(3-fluorophenyl)methyl]indol-3-yl]methyl]piperazin-1-yl]-2-pyrazin-2-ylethanone is O=C(Cc1cnccn1)N1CCN(Cc2cn(Cc3cccc(F)c3)c3ccccc23)CC1.
What is the InChIKey of 1-[4-[[1-[(3-fluorophenyl)methyl]indol-3-yl]methyl]piperazin-1-yl]-2-pyrazin-2-ylethanone?
The InChIKey is NOBZRUQKYMYOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O/c27-22-5-3-4-20(14-22)17-32-19-21(24-6-1-2-7-25(24)32)18-30-10-12-31(13-11-30)26(33)15-23-16-28-8-9-29-23/h1-9,14,16,19H,10-13,15,17-18H2.
What are the key properties of 1-[4-[[1-[(3-fluorophenyl)methyl]indol-3-yl]methyl]piperazin-1-yl]-2-pyrazin-2-ylethanone?
1-[4-[[1-[(3-fluorophenyl)methyl]indol-3-yl]methyl]piperazin-1-yl]-2-pyrazin-2-ylethanone has a molecular weight of 443.53 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[1-[(3-fluorophenyl)methyl]indol-3-yl]methyl]piperazin-1-yl]-2-pyrazin-2-ylethanone is sourced from PubChem (CID 58347786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).