(5Z)-5-[5-bromo-1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

C24H13BrFN5O2S — CID 18804572

IUPAC(5Z)-5-[5-bromo-1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESO=C1/C(=c2\sc3nc(-c4ccncc4)nn3c2=O)c2cc(Br)ccc2N1Cc1ccc(F)cc1
InChIInChI=1S/C24H13BrFN5O2S/c25-15-3-6-18-17(11-15)19(22(32)30(18)12-13-1-4-16(26)5-2-13)20-23(33)31-24(34-20)28-21(29-31)14-7-9-27-10-8-14/h1-11H,12H2/b20-19-
InChIKeyXVIXQJVUIBNQMC-VXPUYCOJSA-N
MW534.37 g/mol
LogP3.58
Rot. Bonds3

About (5Z)-5-[5-bromo-1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

(5Z)-5-[5-bromo-1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (PubChem CID 18804572) has the molecular formula C24H13BrFN5O2S and a molecular weight of 534.37 g/mol. Its IUPAC name is (5Z)-5-[5-bromo-1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.

Molecular Properties

Compound Name(5Z)-5-[5-bromo-1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
PubChem CID18804572
Molecular FormulaC24H13BrFN5O2S
Molecular Weight534.37 g/mol
Exact Mass533.00
IUPAC Name(5Z)-5-[5-bromo-1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESO=C1/C(=c2\sc3nc(-c4ccncc4)nn3c2=O)c2cc(Br)ccc2N1Cc1ccc(F)cc1
InChIInChI=1S/C24H13BrFN5O2S/c25-15-3-6-18-17(11-15)19(22(32)30(18)12-13-1-4-16(26)5-2-13)20-23(33)31-24(34-20)28-21(29-31)14-7-9-27-10-8-14/h1-11H,12H2/b20-19-
InChIKeyXVIXQJVUIBNQMC-VXPUYCOJSA-N
XLogP3.58
TPSA80.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.37
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (5Z)-5-[5-bromo-1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[5-bromo-1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The IUPAC name of (5Z)-5-[5-bromo-1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (CID 18804572) is (5Z)-5-[5-bromo-1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
What is the SMILES notation for (5Z)-5-[5-bromo-1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The canonical SMILES for (5Z)-5-[5-bromo-1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is O=C1/C(=c2\sc3nc(-c4ccncc4)nn3c2=O)c2cc(Br)ccc2N1Cc1ccc(F)cc1.
What is the InChIKey of (5Z)-5-[5-bromo-1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The InChIKey is XVIXQJVUIBNQMC-VXPUYCOJSA-N. The full InChI is InChI=1S/C24H13BrFN5O2S/c25-15-3-6-18-17(11-15)19(22(32)30(18)12-13-1-4-16(26)5-2-13)20-23(33)31-24(34-20)28-21(29-31)14-7-9-27-10-8-14/h1-11H,12H2/b20-19-.
What are the key properties of (5Z)-5-[5-bromo-1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
(5Z)-5-[5-bromo-1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one has a molecular weight of 534.37 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[5-bromo-1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is sourced from PubChem (CID 18804572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).