(3Z)-5-fluoro-3-[[4-[1-(3-methylphenyl)triazol-4-yl]phenyl]methylidene]-1H-indol-2-one

C24H17FN4O — CID 150194658

IUPAC(3Z)-5-fluoro-3-[[4-[1-(3-methylphenyl)triazol-4-yl]phenyl]methylidene]-1H-indol-2-one
SMILESCc1cccc(-n2cc(-c3ccc(/C=C4\C(=O)Nc5ccc(F)cc54)cc3)nn2)c1
InChIInChI=1S/C24H17FN4O/c1-15-3-2-4-19(11-15)29-14-23(27-28-29)17-7-5-16(6-8-17)12-21-20-13-18(25)9-10-22(20)26-24(21)30/h2-14H,1H3,(H,26,30)/b21-12-
InChIKeyFOELXJQRQANWNO-MTJSOVHGSA-N
MW396.43 g/mol
LogP4.87
Rot. Bonds3

About (3Z)-5-fluoro-3-[[4-[1-(3-methylphenyl)triazol-4-yl]phenyl]methylidene]-1H-indol-2-one

(3Z)-5-fluoro-3-[[4-[1-(3-methylphenyl)triazol-4-yl]phenyl]methylidene]-1H-indol-2-one (PubChem CID 150194658) has the molecular formula C24H17FN4O and a molecular weight of 396.43 g/mol. Its IUPAC name is (3Z)-5-fluoro-3-[[4-[1-(3-methylphenyl)triazol-4-yl]phenyl]methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-5-fluoro-3-[[4-[1-(3-methylphenyl)triazol-4-yl]phenyl]methylidene]-1H-indol-2-one
PubChem CID150194658
Molecular FormulaC24H17FN4O
Molecular Weight396.43 g/mol
Exact Mass396.14
IUPAC Name(3Z)-5-fluoro-3-[[4-[1-(3-methylphenyl)triazol-4-yl]phenyl]methylidene]-1H-indol-2-one
SMILESCc1cccc(-n2cc(-c3ccc(/C=C4\C(=O)Nc5ccc(F)cc54)cc3)nn2)c1
InChIInChI=1S/C24H17FN4O/c1-15-3-2-4-19(11-15)29-14-23(27-28-29)17-7-5-16(6-8-17)12-21-20-13-18(25)9-10-22(20)26-24(21)30/h2-14H,1H3,(H,26,30)/b21-12-
InChIKeyFOELXJQRQANWNO-MTJSOVHGSA-N
XLogP4.87
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-5-fluoro-3-[[4-[1-(3-methylphenyl)triazol-4-yl]phenyl]methylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-5-fluoro-3-[[4-[1-(3-methylphenyl)triazol-4-yl]phenyl]methylidene]-1H-indol-2-one (CID 150194658) is (3Z)-5-fluoro-3-[[4-[1-(3-methylphenyl)triazol-4-yl]phenyl]methylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-5-fluoro-3-[[4-[1-(3-methylphenyl)triazol-4-yl]phenyl]methylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-5-fluoro-3-[[4-[1-(3-methylphenyl)triazol-4-yl]phenyl]methylidene]-1H-indol-2-one is Cc1cccc(-n2cc(-c3ccc(/C=C4\C(=O)Nc5ccc(F)cc54)cc3)nn2)c1.
What is the InChIKey of (3Z)-5-fluoro-3-[[4-[1-(3-methylphenyl)triazol-4-yl]phenyl]methylidene]-1H-indol-2-one?
The InChIKey is FOELXJQRQANWNO-MTJSOVHGSA-N. The full InChI is InChI=1S/C24H17FN4O/c1-15-3-2-4-19(11-15)29-14-23(27-28-29)17-7-5-16(6-8-17)12-21-20-13-18(25)9-10-22(20)26-24(21)30/h2-14H,1H3,(H,26,30)/b21-12-.
What are the key properties of (3Z)-5-fluoro-3-[[4-[1-(3-methylphenyl)triazol-4-yl]phenyl]methylidene]-1H-indol-2-one?
(3Z)-5-fluoro-3-[[4-[1-(3-methylphenyl)triazol-4-yl]phenyl]methylidene]-1H-indol-2-one has a molecular weight of 396.43 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-fluoro-3-[[4-[1-(3-methylphenyl)triazol-4-yl]phenyl]methylidene]-1H-indol-2-one is sourced from PubChem (CID 150194658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).