(3-aminothieno[2,3-b]pyridin-2-yl)-(2-methyl-1H-indol-3-yl)methanone

C17H13N3OS — CID 16764531

IUPAC(3-aminothieno[2,3-b]pyridin-2-yl)-(2-methyl-1H-indol-3-yl)methanone
SMILESCc1[nH]c2ccccc2c1C(=O)c1sc2ncccc2c1N
InChIInChI=1S/C17H13N3OS/c1-9-13(10-5-2-3-7-12(10)20-9)15(21)16-14(18)11-6-4-8-19-17(11)22-16/h2-8,20H,18H2,1H3
InChIKeyJNDMSAUEJXOTKT-UHFFFAOYSA-N
MW307.38 g/mol
LogP3.90
Rot. Bonds2

About (3-aminothieno[2,3-b]pyridin-2-yl)-(2-methyl-1H-indol-3-yl)methanone

(3-aminothieno[2,3-b]pyridin-2-yl)-(2-methyl-1H-indol-3-yl)methanone (PubChem CID 16764531) has the molecular formula C17H13N3OS and a molecular weight of 307.38 g/mol. Its IUPAC name is (3-aminothieno[2,3-b]pyridin-2-yl)-(2-methyl-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(3-aminothieno[2,3-b]pyridin-2-yl)-(2-methyl-1H-indol-3-yl)methanone
PubChem CID16764531
Molecular FormulaC17H13N3OS
Molecular Weight307.38 g/mol
Exact Mass307.08
IUPAC Name(3-aminothieno[2,3-b]pyridin-2-yl)-(2-methyl-1H-indol-3-yl)methanone
SMILESCc1[nH]c2ccccc2c1C(=O)c1sc2ncccc2c1N
InChIInChI=1S/C17H13N3OS/c1-9-13(10-5-2-3-7-12(10)20-9)15(21)16-14(18)11-6-4-8-19-17(11)22-16/h2-8,20H,18H2,1H3
InChIKeyJNDMSAUEJXOTKT-UHFFFAOYSA-N
XLogP3.90
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3-aminothieno[2,3-b]pyridin-2-yl)-(2-methyl-1H-indol-3-yl)methanone 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 (3-aminothieno[2,3-b]pyridin-2-yl)-(2-methyl-1H-indol-3-yl)methanone?
The IUPAC name of (3-aminothieno[2,3-b]pyridin-2-yl)-(2-methyl-1H-indol-3-yl)methanone (CID 16764531) is (3-aminothieno[2,3-b]pyridin-2-yl)-(2-methyl-1H-indol-3-yl)methanone.
What is the SMILES notation for (3-aminothieno[2,3-b]pyridin-2-yl)-(2-methyl-1H-indol-3-yl)methanone?
The canonical SMILES for (3-aminothieno[2,3-b]pyridin-2-yl)-(2-methyl-1H-indol-3-yl)methanone is Cc1[nH]c2ccccc2c1C(=O)c1sc2ncccc2c1N.
What is the InChIKey of (3-aminothieno[2,3-b]pyridin-2-yl)-(2-methyl-1H-indol-3-yl)methanone?
The InChIKey is JNDMSAUEJXOTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3OS/c1-9-13(10-5-2-3-7-12(10)20-9)15(21)16-14(18)11-6-4-8-19-17(11)22-16/h2-8,20H,18H2,1H3.
What are the key properties of (3-aminothieno[2,3-b]pyridin-2-yl)-(2-methyl-1H-indol-3-yl)methanone?
(3-aminothieno[2,3-b]pyridin-2-yl)-(2-methyl-1H-indol-3-yl)methanone has a molecular weight of 307.38 g/mol, XLogP of 3.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminothieno[2,3-b]pyridin-2-yl)-(2-methyl-1H-indol-3-yl)methanone is sourced from PubChem (CID 16764531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).