7-(3-fluoro-4-methylanilino)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one

C20H16FN3O — CID 22582391

IUPAC7-(3-fluoro-4-methylanilino)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCc1ccc(NC2c3ncccc3C(=O)N2c2ccccc2)cc1F
InChIInChI=1S/C20H16FN3O/c1-13-9-10-14(12-17(13)21)23-19-18-16(8-5-11-22-18)20(25)24(19)15-6-3-2-4-7-15/h2-12,19,23H,1H3
InChIKeyVVDKJZFDDGALJL-UHFFFAOYSA-N
MW333.37 g/mol
LogP4.30
Rot. Bonds3

About 7-(3-fluoro-4-methylanilino)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one

7-(3-fluoro-4-methylanilino)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 22582391) has the molecular formula C20H16FN3O and a molecular weight of 333.37 g/mol. Its IUPAC name is 7-(3-fluoro-4-methylanilino)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name7-(3-fluoro-4-methylanilino)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID22582391
Molecular FormulaC20H16FN3O
Molecular Weight333.37 g/mol
Exact Mass333.13
IUPAC Name7-(3-fluoro-4-methylanilino)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCc1ccc(NC2c3ncccc3C(=O)N2c2ccccc2)cc1F
InChIInChI=1S/C20H16FN3O/c1-13-9-10-14(12-17(13)21)23-19-18-16(8-5-11-22-18)20(25)24(19)15-6-3-2-4-7-15/h2-12,19,23H,1H3
InChIKeyVVDKJZFDDGALJL-UHFFFAOYSA-N
XLogP4.30
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(7R)-7-(3-fluoro-4-methylanilino)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 92714567
6-benzyl-7-(3-fluoro-4-methylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 20866653
(7R)-7-(4-chloroanilino)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 92714532
7-(2-fluoroanilino)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 22582377
(7S)-7-(3,4-dimethylanilino)-6-(4-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 92689427
(7R)-7-(3,4-dimethylanilino)-6-(4-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 92689426
7-(3-chloro-4-methoxyanilino)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 22582393
4-[[(7S)-5-oxo-6-phenyl-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzonitrile
CID 92876977
(7S)-7-(3-chloro-4-fluoroanilino)-6-(3-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 92666247
(7R)-7-(3-chloro-4-fluoroanilino)-6-(4-ethoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 95113543
(7S)-7-(3-bromoanilino)-6-(4-methylphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 92714523
(7S)-7-(2-chloro-4-methylanilino)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 92714559

Frequently Asked Questions

What is the IUPAC name of 7-(3-fluoro-4-methylanilino)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 7-(3-fluoro-4-methylanilino)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one (CID 22582391) is 7-(3-fluoro-4-methylanilino)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 7-(3-fluoro-4-methylanilino)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 7-(3-fluoro-4-methylanilino)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one is Cc1ccc(NC2c3ncccc3C(=O)N2c2ccccc2)cc1F.
What is the InChIKey of 7-(3-fluoro-4-methylanilino)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is VVDKJZFDDGALJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O/c1-13-9-10-14(12-17(13)21)23-19-18-16(8-5-11-22-18)20(25)24(19)15-6-3-2-4-7-15/h2-12,19,23H,1H3.
What are the key properties of 7-(3-fluoro-4-methylanilino)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one?
7-(3-fluoro-4-methylanilino)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 333.37 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-fluoro-4-methylanilino)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 22582391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).