6-[[4-(2,6-dimethylindazol-5-yl)-2-fluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one

C23H19FN4O — CID 175615779

IUPAC6-[[4-(2,6-dimethylindazol-5-yl)-2-fluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCc1cc2nn(C)cc2cc1-c1ccc(CN2Cc3ncccc3C2=O)c(F)c1
InChIInChI=1S/C23H19FN4O/c1-14-8-21-17(11-27(2)26-21)9-19(14)15-5-6-16(20(24)10-15)12-28-13-22-18(23(28)29)4-3-7-25-22/h3-11H,12-13H2,1-2H3
InChIKeyAHBAECCNIGEYMK-UHFFFAOYSA-N
MW386.43 g/mol
LogP4.24
Rot. Bonds3

About 6-[[4-(2,6-dimethylindazol-5-yl)-2-fluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one

6-[[4-(2,6-dimethylindazol-5-yl)-2-fluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 175615779) has the molecular formula C23H19FN4O and a molecular weight of 386.43 g/mol. Its IUPAC name is 6-[[4-(2,6-dimethylindazol-5-yl)-2-fluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name6-[[4-(2,6-dimethylindazol-5-yl)-2-fluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID175615779
Molecular FormulaC23H19FN4O
Molecular Weight386.43 g/mol
Exact Mass386.15
IUPAC Name6-[[4-(2,6-dimethylindazol-5-yl)-2-fluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCc1cc2nn(C)cc2cc1-c1ccc(CN2Cc3ncccc3C2=O)c(F)c1
InChIInChI=1S/C23H19FN4O/c1-14-8-21-17(11-27(2)26-21)9-19(14)15-5-6-16(20(24)10-15)12-28-13-22-18(23(28)29)4-3-7-25-22/h3-11H,12-13H2,1-2H3
InChIKeyAHBAECCNIGEYMK-UHFFFAOYSA-N
XLogP4.24
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-(2,6-dimethylindazol-5-yl)-2-fluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 6-[[4-(2,6-dimethylindazol-5-yl)-2-fluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one (CID 175615779) is 6-[[4-(2,6-dimethylindazol-5-yl)-2-fluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 6-[[4-(2,6-dimethylindazol-5-yl)-2-fluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 6-[[4-(2,6-dimethylindazol-5-yl)-2-fluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one is Cc1cc2nn(C)cc2cc1-c1ccc(CN2Cc3ncccc3C2=O)c(F)c1.
What is the InChIKey of 6-[[4-(2,6-dimethylindazol-5-yl)-2-fluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is AHBAECCNIGEYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O/c1-14-8-21-17(11-27(2)26-21)9-19(14)15-5-6-16(20(24)10-15)12-28-13-22-18(23(28)29)4-3-7-25-22/h3-11H,12-13H2,1-2H3.
What are the key properties of 6-[[4-(2,6-dimethylindazol-5-yl)-2-fluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
6-[[4-(2,6-dimethylindazol-5-yl)-2-fluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 386.43 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(2,6-dimethylindazol-5-yl)-2-fluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 175615779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).