(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

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Related Compounds

(3-aminothieno[2,3-b]pyridin-2-yl)-(4-bromophenyl)methanone
CID 16763566
[4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]-(2-methyl-1H-indol-3-yl)methanone
CID 46285742
(2-methyl-1H-indol-3-yl)-(2-methylphenyl)methanone
CID 43339223
methyl 3-aminothieno[2,3-b]pyridine-2-carboxylate;pyridine
CID 160853346
(2-amino-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-(2-methyl-1H-indol-3-yl)methanone
CID 66603492
CID 170645728
CID 170645728
ethane;(2-methyl-1H-indol-3-yl)-(6-methyl-2-pyridinyl)methanone
CID 161168956
3-amino-N-(3,4-dimethylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 41316282
(2S)-2-chloro-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 2405282
1-(2-methyl-1H-indol-3-yl)-2-pyrazin-2-ylethanone
CID 116832726
3-amino-N-(2-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 41316339
(5-bromothiophen-3-yl)-(2-methyl-1H-indol-3-yl)methanone
CID 114021021

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).