5-phenyl-4-[(E)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1,2-dihydropyrazol-3-one

C17H12N4O — CID 22059933

IUPAC5-phenyl-4-[(E)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1,2-dihydropyrazol-3-one
SMILESO=c1[nH][nH]c(-c2ccccc2)c1/C=C1/C=Nc2ncccc21
InChIInChI=1S/C17H12N4O/c22-17-14(15(20-21-17)11-5-2-1-3-6-11)9-12-10-19-16-13(12)7-4-8-18-16/h1-10H,(H2,20,21,22)/b12-9-
InChIKeyOZORXMFDFPOUDD-XFXZXTDPSA-N
MW288.31 g/mol
LogP3.02
Rot. Bonds2

About 5-phenyl-4-[(E)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1,2-dihydropyrazol-3-one

5-phenyl-4-[(E)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1,2-dihydropyrazol-3-one (PubChem CID 22059933) has the molecular formula C17H12N4O and a molecular weight of 288.31 g/mol. Its IUPAC name is 5-phenyl-4-[(E)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-phenyl-4-[(E)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1,2-dihydropyrazol-3-one
PubChem CID22059933
Molecular FormulaC17H12N4O
Molecular Weight288.31 g/mol
Exact Mass288.10
IUPAC Name5-phenyl-4-[(E)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1,2-dihydropyrazol-3-one
SMILESO=c1[nH][nH]c(-c2ccccc2)c1/C=C1/C=Nc2ncccc21
InChIInChI=1S/C17H12N4O/c22-17-14(15(20-21-17)11-5-2-1-3-6-11)9-12-10-19-16-13(12)7-4-8-18-16/h1-10H,(H2,20,21,22)/b12-9-
InChIKeyOZORXMFDFPOUDD-XFXZXTDPSA-N
XLogP3.02
TPSA73.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-5-[(E)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol
CID 135463519
1-(2-fluorophenyl)-6-hydroxy-5-[(E)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]pyrimidine-2,4-dione
CID 135706708
4-[(E)-indol-3-ylidenemethyl]-5-methyl-1,2-dihydropyrazol-3-one
CID 22059924
4-[(E)-indol-3-ylidenemethyl]-5-(phenoxymethyl)-1,2-dihydropyrazol-3-one
CID 22059829
1-(4-ethoxyphenyl)-6-hydroxy-5-[(E)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]pyrimidine-2,4-dione
CID 135706692
2-(benzylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol
CID 135712510
2-(4-methylphenyl)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol
CID 135712611
(3E)-1-methyl-3-[(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)methylidene]quinoline-2,4-dione
CID 18529555
4-hydroxy-3-methyl-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1,3-oxazol-2-one
CID 156556197
1-methyl-3-[(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)methylidene]quinoline-2,4-dione
CID 3599663
2-(benzylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol;hydrochloride
CID 135950283
4-[(Z)-(7-methylindol-3-ylidene)methyl]-5-(1-phenylethyl)-1,2-dihydropyrazol-3-one
CID 22059542

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-4-[(E)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-phenyl-4-[(E)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1,2-dihydropyrazol-3-one (CID 22059933) is 5-phenyl-4-[(E)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-phenyl-4-[(E)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-phenyl-4-[(E)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1,2-dihydropyrazol-3-one is O=c1[nH][nH]c(-c2ccccc2)c1/C=C1/C=Nc2ncccc21.
What is the InChIKey of 5-phenyl-4-[(E)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1,2-dihydropyrazol-3-one?
The InChIKey is OZORXMFDFPOUDD-XFXZXTDPSA-N. The full InChI is InChI=1S/C17H12N4O/c22-17-14(15(20-21-17)11-5-2-1-3-6-11)9-12-10-19-16-13(12)7-4-8-18-16/h1-10H,(H2,20,21,22)/b12-9-.
What are the key properties of 5-phenyl-4-[(E)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1,2-dihydropyrazol-3-one?
5-phenyl-4-[(E)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1,2-dihydropyrazol-3-one has a molecular weight of 288.31 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-4-[(E)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 22059933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).