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

C23H18FN3O — CID 71555144

IUPAC6-[[2-fluoro-4-(1-methylindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCn1ccc2cc(-c3ccc(CN4Cc5ncccc5C4=O)c(F)c3)ccc21
InChIInChI=1S/C23H18FN3O/c1-26-10-8-17-11-15(6-7-22(17)26)16-4-5-18(20(24)12-16)13-27-14-21-19(23(27)28)3-2-9-25-21/h2-12H,13-14H2,1H3
InChIKeyYVEZCPFNLJPCFL-UHFFFAOYSA-N
MW371.42 g/mol
LogP4.54
Rot. Bonds3

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

6-[[2-fluoro-4-(1-methylindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 71555144) has the molecular formula C23H18FN3O and a molecular weight of 371.42 g/mol. Its IUPAC name is 6-[[2-fluoro-4-(1-methylindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name6-[[2-fluoro-4-(1-methylindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID71555144
Molecular FormulaC23H18FN3O
Molecular Weight371.42 g/mol
Exact Mass371.14
IUPAC Name6-[[2-fluoro-4-(1-methylindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCn1ccc2cc(-c3ccc(CN4Cc5ncccc5C4=O)c(F)c3)ccc21
InChIInChI=1S/C23H18FN3O/c1-26-10-8-17-11-15(6-7-22(17)26)16-4-5-18(20(24)12-16)13-27-14-21-19(23(27)28)3-2-9-25-21/h2-12H,13-14H2,1H3
InChIKeyYVEZCPFNLJPCFL-UHFFFAOYSA-N
XLogP4.54
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-[[2-fluoro-4-(1-methylindol-5-yl)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-(1-methylindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 6-[[2-fluoro-4-(1-methylindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one (CID 71555144) is 6-[[2-fluoro-4-(1-methylindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 6-[[2-fluoro-4-(1-methylindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 6-[[2-fluoro-4-(1-methylindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one is Cn1ccc2cc(-c3ccc(CN4Cc5ncccc5C4=O)c(F)c3)ccc21.
What is the InChIKey of 6-[[2-fluoro-4-(1-methylindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is YVEZCPFNLJPCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O/c1-26-10-8-17-11-15(6-7-22(17)26)16-4-5-18(20(24)12-16)13-27-14-21-19(23(27)28)3-2-9-25-21/h2-12H,13-14H2,1H3.
What are the key properties of 6-[[2-fluoro-4-(1-methylindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
6-[[2-fluoro-4-(1-methylindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 371.42 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-fluoro-4-(1-methylindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 71555144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).