6-[[4-[4-(dimethylamino)phenyl]-2-fluorophenyl]methyl]pyrrolo[3,4-b]pyridin-5-ol

C22H20FN3O — CID 137021788

IUPAC6-[[4-[4-(dimethylamino)phenyl]-2-fluorophenyl]methyl]pyrrolo[3,4-b]pyridin-5-ol
SMILESCN(C)c1ccc(-c2ccc(Cn3cc4ncccc4c3O)c(F)c2)cc1
InChIInChI=1S/C22H20FN3O/c1-25(2)18-9-7-15(8-10-18)16-5-6-17(20(23)12-16)13-26-14-21-19(22(26)27)4-3-11-24-21/h3-12,14,27H,13H2,1-2H3
InChIKeyGWZCWCTUBVPMMJ-UHFFFAOYSA-N
MW361.42 g/mol
LogP4.66
Rot. Bonds4

About 6-[[4-[4-(dimethylamino)phenyl]-2-fluorophenyl]methyl]pyrrolo[3,4-b]pyridin-5-ol

6-[[4-[4-(dimethylamino)phenyl]-2-fluorophenyl]methyl]pyrrolo[3,4-b]pyridin-5-ol (PubChem CID 137021788) has the molecular formula C22H20FN3O and a molecular weight of 361.42 g/mol. Its IUPAC name is 6-[[4-[4-(dimethylamino)phenyl]-2-fluorophenyl]methyl]pyrrolo[3,4-b]pyridin-5-ol.

Molecular Properties

Compound Name6-[[4-[4-(dimethylamino)phenyl]-2-fluorophenyl]methyl]pyrrolo[3,4-b]pyridin-5-ol
PubChem CID137021788
Molecular FormulaC22H20FN3O
Molecular Weight361.42 g/mol
Exact Mass361.16
IUPAC Name6-[[4-[4-(dimethylamino)phenyl]-2-fluorophenyl]methyl]pyrrolo[3,4-b]pyridin-5-ol
SMILESCN(C)c1ccc(-c2ccc(Cn3cc4ncccc4c3O)c(F)c2)cc1
InChIInChI=1S/C22H20FN3O/c1-25(2)18-9-7-15(8-10-18)16-5-6-17(20(23)12-16)13-26-14-21-19(22(26)27)4-3-11-24-21/h3-12,14,27H,13H2,1-2H3
InChIKeyGWZCWCTUBVPMMJ-UHFFFAOYSA-N
XLogP4.66
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-[4-(dimethylamino)phenyl]-2-fluorophenyl]methyl]pyrrolo[3,4-b]pyridin-5-ol?
The IUPAC name of 6-[[4-[4-(dimethylamino)phenyl]-2-fluorophenyl]methyl]pyrrolo[3,4-b]pyridin-5-ol (CID 137021788) is 6-[[4-[4-(dimethylamino)phenyl]-2-fluorophenyl]methyl]pyrrolo[3,4-b]pyridin-5-ol.
What is the SMILES notation for 6-[[4-[4-(dimethylamino)phenyl]-2-fluorophenyl]methyl]pyrrolo[3,4-b]pyridin-5-ol?
The canonical SMILES for 6-[[4-[4-(dimethylamino)phenyl]-2-fluorophenyl]methyl]pyrrolo[3,4-b]pyridin-5-ol is CN(C)c1ccc(-c2ccc(Cn3cc4ncccc4c3O)c(F)c2)cc1.
What is the InChIKey of 6-[[4-[4-(dimethylamino)phenyl]-2-fluorophenyl]methyl]pyrrolo[3,4-b]pyridin-5-ol?
The InChIKey is GWZCWCTUBVPMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O/c1-25(2)18-9-7-15(8-10-18)16-5-6-17(20(23)12-16)13-26-14-21-19(22(26)27)4-3-11-24-21/h3-12,14,27H,13H2,1-2H3.
What are the key properties of 6-[[4-[4-(dimethylamino)phenyl]-2-fluorophenyl]methyl]pyrrolo[3,4-b]pyridin-5-ol?
6-[[4-[4-(dimethylamino)phenyl]-2-fluorophenyl]methyl]pyrrolo[3,4-b]pyridin-5-ol has a molecular weight of 361.42 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[4-(dimethylamino)phenyl]-2-fluorophenyl]methyl]pyrrolo[3,4-b]pyridin-5-ol is sourced from PubChem (CID 137021788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).