5-fluoro-2-[2-(5-fluoroindol-1-id-2-yl)-6-thiophen-2-ylpyrimidin-4-yl]indol-1-ide

C24H12F2N4S-2 — CID 140780476

IUPAC5-fluoro-2-[2-(5-fluoroindol-1-id-2-yl)-6-thiophen-2-ylpyrimidin-4-yl]indol-1-ide
SMILESFc1ccc2[n-]c(-c3cc(-c4cccs4)nc(-c4cc5cc(F)ccc5[n-]4)n3)cc2c1
InChIInChI=1S/C24H12F2N4S/c25-15-3-5-17-13(8-15)10-19(27-17)20-12-21(23-2-1-7-31-23)30-24(29-20)22-11-14-9-16(26)4-6-18(14)28-22/h1-12H/q-2
InChIKeyOAYQFQOIUSVHMA-UHFFFAOYSA-N
MW426.45 g/mol
LogP6.04
Rot. Bonds3

About 5-fluoro-2-[2-(5-fluoroindol-1-id-2-yl)-6-thiophen-2-ylpyrimidin-4-yl]indol-1-ide

5-fluoro-2-[2-(5-fluoroindol-1-id-2-yl)-6-thiophen-2-ylpyrimidin-4-yl]indol-1-ide (PubChem CID 140780476) has the molecular formula C24H12F2N4S-2 and a molecular weight of 426.45 g/mol. Its IUPAC name is 5-fluoro-2-[2-(5-fluoroindol-1-id-2-yl)-6-thiophen-2-ylpyrimidin-4-yl]indol-1-ide.

Molecular Properties

Compound Name5-fluoro-2-[2-(5-fluoroindol-1-id-2-yl)-6-thiophen-2-ylpyrimidin-4-yl]indol-1-ide
PubChem CID140780476
Molecular FormulaC24H12F2N4S-2
Molecular Weight426.45 g/mol
Exact Mass426.08
IUPAC Name5-fluoro-2-[2-(5-fluoroindol-1-id-2-yl)-6-thiophen-2-ylpyrimidin-4-yl]indol-1-ide
SMILESFc1ccc2[n-]c(-c3cc(-c4cccs4)nc(-c4cc5cc(F)ccc5[n-]4)n3)cc2c1
InChIInChI=1S/C24H12F2N4S/c25-15-3-5-17-13(8-15)10-19(27-17)20-12-21(23-2-1-7-31-23)30-24(29-20)22-11-14-9-16(26)4-6-18(14)28-22/h1-12H/q-2
InChIKeyOAYQFQOIUSVHMA-UHFFFAOYSA-N
XLogP6.04
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.45
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[2-(5-fluoroindol-1-id-2-yl)-6-thiophen-2-ylpyrimidin-4-yl]indol-1-ide?
The IUPAC name of 5-fluoro-2-[2-(5-fluoroindol-1-id-2-yl)-6-thiophen-2-ylpyrimidin-4-yl]indol-1-ide (CID 140780476) is 5-fluoro-2-[2-(5-fluoroindol-1-id-2-yl)-6-thiophen-2-ylpyrimidin-4-yl]indol-1-ide.
What is the SMILES notation for 5-fluoro-2-[2-(5-fluoroindol-1-id-2-yl)-6-thiophen-2-ylpyrimidin-4-yl]indol-1-ide?
The canonical SMILES for 5-fluoro-2-[2-(5-fluoroindol-1-id-2-yl)-6-thiophen-2-ylpyrimidin-4-yl]indol-1-ide is Fc1ccc2[n-]c(-c3cc(-c4cccs4)nc(-c4cc5cc(F)ccc5[n-]4)n3)cc2c1.
What is the InChIKey of 5-fluoro-2-[2-(5-fluoroindol-1-id-2-yl)-6-thiophen-2-ylpyrimidin-4-yl]indol-1-ide?
The InChIKey is OAYQFQOIUSVHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H12F2N4S/c25-15-3-5-17-13(8-15)10-19(27-17)20-12-21(23-2-1-7-31-23)30-24(29-20)22-11-14-9-16(26)4-6-18(14)28-22/h1-12H/q-2.
What are the key properties of 5-fluoro-2-[2-(5-fluoroindol-1-id-2-yl)-6-thiophen-2-ylpyrimidin-4-yl]indol-1-ide?
5-fluoro-2-[2-(5-fluoroindol-1-id-2-yl)-6-thiophen-2-ylpyrimidin-4-yl]indol-1-ide has a molecular weight of 426.45 g/mol, XLogP of 6.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[2-(5-fluoroindol-1-id-2-yl)-6-thiophen-2-ylpyrimidin-4-yl]indol-1-ide is sourced from PubChem (CID 140780476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).