6-[[2-fluoro-4-[(2-iodoindazol-5-yl)amino]phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one

C21H15FIN5O — CID 146558673

IUPAC6-[[2-fluoro-4-[(2-iodoindazol-5-yl)amino]phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESO=C1c2cccnc2CN1Cc1ccc(Nc2ccc3nn(I)cc3c2)cc1F
InChIInChI=1S/C21H15FIN5O/c22-18-9-16(25-15-5-6-19-14(8-15)11-28(23)26-19)4-3-13(18)10-27-12-20-17(21(27)29)2-1-7-24-20/h1-9,11,25H,10,12H2
InChIKeyWDWNTOMLXAIPMC-UHFFFAOYSA-N
MW499.29 g/mol
LogP4.67
Rot. Bonds4

About 6-[[2-fluoro-4-[(2-iodoindazol-5-yl)amino]phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one

6-[[2-fluoro-4-[(2-iodoindazol-5-yl)amino]phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 146558673) has the molecular formula C21H15FIN5O and a molecular weight of 499.29 g/mol. Its IUPAC name is 6-[[2-fluoro-4-[(2-iodoindazol-5-yl)amino]phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name6-[[2-fluoro-4-[(2-iodoindazol-5-yl)amino]phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID146558673
Molecular FormulaC21H15FIN5O
Molecular Weight499.29 g/mol
Exact Mass499.03
IUPAC Name6-[[2-fluoro-4-[(2-iodoindazol-5-yl)amino]phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESO=C1c2cccnc2CN1Cc1ccc(Nc2ccc3nn(I)cc3c2)cc1F
InChIInChI=1S/C21H15FIN5O/c22-18-9-16(25-15-5-6-19-14(8-15)11-28(23)26-19)4-3-13(18)10-27-12-20-17(21(27)29)2-1-7-24-20/h1-9,11,25H,10,12H2
InChIKeyWDWNTOMLXAIPMC-UHFFFAOYSA-N
XLogP4.67
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.29
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-[[2-fluoro-4-[(2-iodoindazol-5-yl)amino]phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[2-fluoro-4-[(2-iodoindazol-5-yl)amino]phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 6-[[2-fluoro-4-[(2-iodoindazol-5-yl)amino]phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one (CID 146558673) is 6-[[2-fluoro-4-[(2-iodoindazol-5-yl)amino]phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 6-[[2-fluoro-4-[(2-iodoindazol-5-yl)amino]phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 6-[[2-fluoro-4-[(2-iodoindazol-5-yl)amino]phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one is O=C1c2cccnc2CN1Cc1ccc(Nc2ccc3nn(I)cc3c2)cc1F.
What is the InChIKey of 6-[[2-fluoro-4-[(2-iodoindazol-5-yl)amino]phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is WDWNTOMLXAIPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FIN5O/c22-18-9-16(25-15-5-6-19-14(8-15)11-28(23)26-19)4-3-13(18)10-27-12-20-17(21(27)29)2-1-7-24-20/h1-9,11,25H,10,12H2.
What are the key properties of 6-[[2-fluoro-4-[(2-iodoindazol-5-yl)amino]phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
6-[[2-fluoro-4-[(2-iodoindazol-5-yl)amino]phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 499.29 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-fluoro-4-[(2-iodoindazol-5-yl)amino]phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 146558673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).