6-[[2-fluoro-1-methyl-5-(2-methylindazol-5-yl)cyclohexa-2,4-dien-1-yl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one

C23H21FN4O — CID 147160134

IUPAC6-[[2-fluoro-1-methyl-5-(2-methylindazol-5-yl)cyclohexa-2,4-dien-1-yl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCn1cc2cc(C3=CC=C(F)C(C)(CN4Cc5ncccc5C4=O)C3)ccc2n1
InChIInChI=1S/C23H21FN4O/c1-23(14-28-13-20-18(22(28)29)4-3-9-25-20)11-16(6-8-21(23)24)15-5-7-19-17(10-15)12-27(2)26-19/h3-10,12H,11,13-14H2,1-2H3
InChIKeyBVRFFKUVACQJLV-UHFFFAOYSA-N
MW388.45 g/mol
LogP4.27
Rot. Bonds3

About 6-[[2-fluoro-1-methyl-5-(2-methylindazol-5-yl)cyclohexa-2,4-dien-1-yl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one

6-[[2-fluoro-1-methyl-5-(2-methylindazol-5-yl)cyclohexa-2,4-dien-1-yl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 147160134) has the molecular formula C23H21FN4O and a molecular weight of 388.45 g/mol. Its IUPAC name is 6-[[2-fluoro-1-methyl-5-(2-methylindazol-5-yl)cyclohexa-2,4-dien-1-yl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name6-[[2-fluoro-1-methyl-5-(2-methylindazol-5-yl)cyclohexa-2,4-dien-1-yl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID147160134
Molecular FormulaC23H21FN4O
Molecular Weight388.45 g/mol
Exact Mass388.17
IUPAC Name6-[[2-fluoro-1-methyl-5-(2-methylindazol-5-yl)cyclohexa-2,4-dien-1-yl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCn1cc2cc(C3=CC=C(F)C(C)(CN4Cc5ncccc5C4=O)C3)ccc2n1
InChIInChI=1S/C23H21FN4O/c1-23(14-28-13-20-18(22(28)29)4-3-9-25-20)11-16(6-8-21(23)24)15-5-7-19-17(10-15)12-27(2)26-19/h3-10,12H,11,13-14H2,1-2H3
InChIKeyBVRFFKUVACQJLV-UHFFFAOYSA-N
XLogP4.27
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[[2-fluoro-1-methyl-5-(2-methylindazol-5-yl)cyclohexa-2,4-dien-1-yl]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

Related Compounds

6-[[2-fluoro-4-(2-methylindazol-5-yl)-6-(2-methylpropoxy)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 175615926
6-[[4-(2,6-dimethylindazol-5-yl)-2-fluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 175615779
6-[[2,6-difluoro-4-(3-methylbenzimidazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 71555067
6-[[2-chloro-6-fluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 175615886
7,7-dideuterio-6-[[4-(2,6-dimethylindazol-5-yl)-2,6-difluorophenyl]methyl]pyrrolo[3,4-b]pyridin-5-one
CID 171760594
6-[[2-cyclopropyl-6-fluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 175615729
6-[[2-fluoro-4-(1-methylindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 71555144
6-[[4-(1-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 175615945
6-[(4-bromo-2-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-[(2-methylindazol-5-yl)amino]phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-methylisoindol-5-amine
CID 161218637
7,7-dideuterio-6-[[2,6-difluoro-4-(7-methoxy-2-methylindazol-5-yl)phenyl]methyl]pyrrolo[3,4-b]pyridin-5-one
CID 171760604
7,7-dideuterio-6-[[4-(2,7-dimethylindazol-5-yl)-2-fluorophenyl]methyl]pyrrolo[3,4-b]pyridin-5-one
CID 171760527
6-[[4-(7-ethoxy-2-methylindazol-4-yl)-2,6-difluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 175615838

Frequently Asked Questions

What is the IUPAC name of 6-[[2-fluoro-1-methyl-5-(2-methylindazol-5-yl)cyclohexa-2,4-dien-1-yl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 6-[[2-fluoro-1-methyl-5-(2-methylindazol-5-yl)cyclohexa-2,4-dien-1-yl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one (CID 147160134) is 6-[[2-fluoro-1-methyl-5-(2-methylindazol-5-yl)cyclohexa-2,4-dien-1-yl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 6-[[2-fluoro-1-methyl-5-(2-methylindazol-5-yl)cyclohexa-2,4-dien-1-yl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 6-[[2-fluoro-1-methyl-5-(2-methylindazol-5-yl)cyclohexa-2,4-dien-1-yl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one is Cn1cc2cc(C3=CC=C(F)C(C)(CN4Cc5ncccc5C4=O)C3)ccc2n1.
What is the InChIKey of 6-[[2-fluoro-1-methyl-5-(2-methylindazol-5-yl)cyclohexa-2,4-dien-1-yl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is BVRFFKUVACQJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O/c1-23(14-28-13-20-18(22(28)29)4-3-9-25-20)11-16(6-8-21(23)24)15-5-7-19-17(10-15)12-27(2)26-19/h3-10,12H,11,13-14H2,1-2H3.
What are the key properties of 6-[[2-fluoro-1-methyl-5-(2-methylindazol-5-yl)cyclohexa-2,4-dien-1-yl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
6-[[2-fluoro-1-methyl-5-(2-methylindazol-5-yl)cyclohexa-2,4-dien-1-yl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 388.45 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-fluoro-1-methyl-5-(2-methylindazol-5-yl)cyclohexa-2,4-dien-1-yl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 147160134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).