2-fluoro-4-methyl-6-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol

C18H13FN2OS — CID 123136784

IUPAC2-fluoro-4-methyl-6-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol
SMILESCc1cc(F)c(O)c(-c2c[nH]c3ncc(-c4ccsc4)cc23)c1
InChIInChI=1S/C18H13FN2OS/c1-10-4-13(17(22)16(19)5-10)15-8-21-18-14(15)6-12(7-20-18)11-2-3-23-9-11/h2-9,22H,1H3,(H,20,21)
InChIKeyBDYFGVXGAGXVIU-UHFFFAOYSA-N
MW324.38 g/mol
LogP5.11
Rot. Bonds2

About 2-fluoro-4-methyl-6-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol

2-fluoro-4-methyl-6-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol (PubChem CID 123136784) has the molecular formula C18H13FN2OS and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-fluoro-4-methyl-6-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol.

Molecular Properties

Compound Name2-fluoro-4-methyl-6-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol
PubChem CID123136784
Molecular FormulaC18H13FN2OS
Molecular Weight324.38 g/mol
Exact Mass324.07
IUPAC Name2-fluoro-4-methyl-6-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol
SMILESCc1cc(F)c(O)c(-c2c[nH]c3ncc(-c4ccsc4)cc23)c1
InChIInChI=1S/C18H13FN2OS/c1-10-4-13(17(22)16(19)5-10)15-8-21-18-14(15)6-12(7-20-18)11-2-3-23-9-11/h2-9,22H,1H3,(H,20,21)
InChIKeyBDYFGVXGAGXVIU-UHFFFAOYSA-N
XLogP5.11
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.38
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-4-methyl-6-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol 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

4-[5-(4-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenol
CID 166633345
(2-fluoro-5-hydroxyphenyl)-(5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 57595564
(2-fluoro-5-hydroxyphenyl)-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 57595576
(2-fluoro-3-hydroxy-phenyl)-(5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-methanone
CID 57595739
2-Fluoro-3-(5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-phenol
CID 58087281
3-[3-(4-fluoro-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
CID 59700022
(2-fluoro-3-hydroxyphenyl)-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 68878159
2-fluoro-6-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol
CID 76280866
3-(3,5-difluoro-2-methoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine
CID 76280868
3-(3-fluoro-2-methoxyphenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine
CID 76282201
4-[[5-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine
CID 76282434
3-(3-fluoro-2-methoxyphenyl)-5-[5-(4-methylpiperazin-1-yl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine
CID 76282436

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-6-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol?
The IUPAC name of 2-fluoro-4-methyl-6-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol (CID 123136784) is 2-fluoro-4-methyl-6-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol.
What is the SMILES notation for 2-fluoro-4-methyl-6-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol?
The canonical SMILES for 2-fluoro-4-methyl-6-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol is Cc1cc(F)c(O)c(-c2c[nH]c3ncc(-c4ccsc4)cc23)c1.
What is the InChIKey of 2-fluoro-4-methyl-6-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol?
The InChIKey is BDYFGVXGAGXVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2OS/c1-10-4-13(17(22)16(19)5-10)15-8-21-18-14(15)6-12(7-20-18)11-2-3-23-9-11/h2-9,22H,1H3,(H,20,21).
What are the key properties of 2-fluoro-4-methyl-6-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol?
2-fluoro-4-methyl-6-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol has a molecular weight of 324.38 g/mol, XLogP of 5.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-6-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol is sourced from PubChem (CID 123136784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).