2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

C16H12FN3O2 — CID 150552837

IUPAC2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESO=C1Nc2ccc(F)cc2C1=Cc1cc2c([nH]1)CCNC2=O
InChIInChI=1S/C16H12FN3O2/c17-8-1-2-13-10(5-8)11(16(22)20-13)6-9-7-12-14(19-9)3-4-18-15(12)21/h1-2,5-7,19H,3-4H2,(H,18,21)(H,20,22)
InChIKeyIIFTZIDHPKNDRW-UHFFFAOYSA-N
MW297.29 g/mol
LogP1.93
Rot. Bonds1

About 2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 150552837) has the molecular formula C16H12FN3O2 and a molecular weight of 297.29 g/mol. Its IUPAC name is 2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID150552837
Molecular FormulaC16H12FN3O2
Molecular Weight297.29 g/mol
Exact Mass297.09
IUPAC Name2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESO=C1Nc2ccc(F)cc2C1=Cc1cc2c([nH]1)CCNC2=O
InChIInChI=1S/C16H12FN3O2/c17-8-1-2-13-10(5-8)11(16(22)20-13)6-9-7-12-14(19-9)3-4-18-15(12)21/h1-2,5-7,19H,3-4H2,(H,18,21)(H,20,22)
InChIKeyIIFTZIDHPKNDRW-UHFFFAOYSA-N
XLogP1.93
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 150552837) is 2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is O=C1Nc2ccc(F)cc2C1=Cc1cc2c([nH]1)CCNC2=O.
What is the InChIKey of 2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is IIFTZIDHPKNDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O2/c17-8-1-2-13-10(5-8)11(16(22)20-13)6-9-7-12-14(19-9)3-4-18-15(12)21/h1-2,5-7,19H,3-4H2,(H,18,21)(H,20,22).
What are the key properties of 2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 297.29 g/mol, XLogP of 1.93, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 150552837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).