6-(2,5-dimethylthiophen-3-yl)-1H-pyrrolo[3,2-b]pyridine

C13H12N2S — CID 162768564

IUPAC6-(2,5-dimethylthiophen-3-yl)-1H-pyrrolo[3,2-b]pyridine
SMILESCc1cc(-c2cnc3cc[nH]c3c2)c(C)s1
InChIInChI=1S/C13H12N2S/c1-8-5-11(9(2)16-8)10-6-13-12(15-7-10)3-4-14-13/h3-7,14H,1-2H3
InChIKeyPVMKWRHOVFPVBO-UHFFFAOYSA-N
MW228.32 g/mol
LogP3.91
Rot. Bonds1

About 6-(2,5-dimethylthiophen-3-yl)-1H-pyrrolo[3,2-b]pyridine

6-(2,5-dimethylthiophen-3-yl)-1H-pyrrolo[3,2-b]pyridine (PubChem CID 162768564) has the molecular formula C13H12N2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 6-(2,5-dimethylthiophen-3-yl)-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name6-(2,5-dimethylthiophen-3-yl)-1H-pyrrolo[3,2-b]pyridine
PubChem CID162768564
Molecular FormulaC13H12N2S
Molecular Weight228.32 g/mol
Exact Mass228.07
IUPAC Name6-(2,5-dimethylthiophen-3-yl)-1H-pyrrolo[3,2-b]pyridine
SMILESCc1cc(-c2cnc3cc[nH]c3c2)c(C)s1
InChIInChI=1S/C13H12N2S/c1-8-5-11(9(2)16-8)10-6-13-12(15-7-10)3-4-14-13/h3-7,14H,1-2H3
InChIKeyPVMKWRHOVFPVBO-UHFFFAOYSA-N
XLogP3.91
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-(2,5-dimethylthiophen-3-yl)-1H-pyrrolo[3,2-b]pyridine 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

7-chloro-5-(1H-pyrrolo[3,2-b]pyridin-6-yl)quinoxaline
CID 134497776
ethane;6-methyl-1H-pyrrolo[3,2-b]pyridine;propane
CID 142447462
6-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-b]pyridine
CID 174897333
N-[5-(1H-pyrrolo[3,2-b]pyridin-6-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]acetamide
CID 44623179
acetaldehyde;6-(2-fluorophenyl)-1H-pyrrolo[3,2-b]pyridine;pentane;propane
CID 145230932
2-methyl-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)propan-2-amine
CID 84771256
(1R)-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)ethane-1,2-diamine
CID 97056959
2-[4-[4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazol-2-yl]phenyl]-4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazole
CID 110194681
3,5-dimethyl-4-(1H-pyrrolo[3,2-b]pyridin-6-yl)-1,2-oxazole;4-(3-iodo-1H-pyrrolo[3,2-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole
CID 159164518
N-methyl-2-(1H-pyrrolo[3,2-b]pyridin-6-yl)ethanamine
CID 84766983
2-(1H-pyrrolo[3,2-b]pyridin-6-yl)ethanol
CID 89389519
(1S)-1-amino-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)propan-2-one
CID 97056961

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylthiophen-3-yl)-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 6-(2,5-dimethylthiophen-3-yl)-1H-pyrrolo[3,2-b]pyridine (CID 162768564) is 6-(2,5-dimethylthiophen-3-yl)-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 6-(2,5-dimethylthiophen-3-yl)-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 6-(2,5-dimethylthiophen-3-yl)-1H-pyrrolo[3,2-b]pyridine is Cc1cc(-c2cnc3cc[nH]c3c2)c(C)s1.
What is the InChIKey of 6-(2,5-dimethylthiophen-3-yl)-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is PVMKWRHOVFPVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2S/c1-8-5-11(9(2)16-8)10-6-13-12(15-7-10)3-4-14-13/h3-7,14H,1-2H3.
What are the key properties of 6-(2,5-dimethylthiophen-3-yl)-1H-pyrrolo[3,2-b]pyridine?
6-(2,5-dimethylthiophen-3-yl)-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 228.32 g/mol, XLogP of 3.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylthiophen-3-yl)-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 162768564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).