5-acetyl-3-amino-N-isoquinolin-8-yl-6-methylthieno[2,3-b]pyridine-2-carboxamide

C20H16N4O2S — CID 155927644

IUPAC5-acetyl-3-amino-N-isoquinolin-8-yl-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCC(=O)c1cc2c(N)c(C(=O)Nc3cccc4ccncc34)sc2nc1C
InChIInChI=1S/C20H16N4O2S/c1-10-13(11(2)25)8-14-17(21)18(27-20(14)23-10)19(26)24-16-5-3-4-12-6-7-22-9-15(12)16/h3-9H,21H2,1-2H3,(H,24,26)
InChIKeyIPWLFDQFWIRDED-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.19
Rot. Bonds3

About 5-acetyl-3-amino-N-isoquinolin-8-yl-6-methylthieno[2,3-b]pyridine-2-carboxamide

5-acetyl-3-amino-N-isoquinolin-8-yl-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 155927644) has the molecular formula C20H16N4O2S and a molecular weight of 376.44 g/mol. Its IUPAC name is 5-acetyl-3-amino-N-isoquinolin-8-yl-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-3-amino-N-isoquinolin-8-yl-6-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID155927644
Molecular FormulaC20H16N4O2S
Molecular Weight376.44 g/mol
Exact Mass376.10
IUPAC Name5-acetyl-3-amino-N-isoquinolin-8-yl-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCC(=O)c1cc2c(N)c(C(=O)Nc3cccc4ccncc34)sc2nc1C
InChIInChI=1S/C20H16N4O2S/c1-10-13(11(2)25)8-14-17(21)18(27-20(14)23-10)19(26)24-16-5-3-4-12-6-7-22-9-15(12)16/h3-9H,21H2,1-2H3,(H,24,26)
InChIKeyIPWLFDQFWIRDED-UHFFFAOYSA-N
XLogP4.19
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-acetyl-3-amino-N-isoquinolin-8-yl-6-methylthieno[2,3-b]pyridine-2-carboxamide with MolForge

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Related Compounds

3-amino-5-(1-hydroxyethyl)-6-methyl-N-(2-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 155808799
5-acetyl-N-(1-adamantyl)-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 58063715
3-amino-5-benzoyl-N-(4-chlorophenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 162395187
3-amino-5-benzoyl-N-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 155812590
isoquinolin-8-ylurea
CID 67363282
3-amino-5,6-dimethyl-N-[2-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
CID 171133210
ethyl 3-[(3-amino-5,6-dimethylthieno[2,3-b]pyridine-2-carbonyl)amino]benzoate
CID 171133227
3-amino-5-[hydroxy-(4-methoxyphenyl)methyl]-N-(3-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 162421381
3-amino-N-(2-chlorophenyl)-5-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 155927840
N-(2,3-dimethylphenyl)isoquinoline-8-carboxamide
CID 110857655
4-fluoro-2-iodo-N-isoquinolin-8-ylbenzamide
CID 103747532
N-isoquinolin-5-yl-4-methylthiadiazole-5-carboxamide
CID 7576784

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-amino-N-isoquinolin-8-yl-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 5-acetyl-3-amino-N-isoquinolin-8-yl-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 155927644) is 5-acetyl-3-amino-N-isoquinolin-8-yl-6-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 5-acetyl-3-amino-N-isoquinolin-8-yl-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 5-acetyl-3-amino-N-isoquinolin-8-yl-6-methylthieno[2,3-b]pyridine-2-carboxamide is CC(=O)c1cc2c(N)c(C(=O)Nc3cccc4ccncc34)sc2nc1C.
What is the InChIKey of 5-acetyl-3-amino-N-isoquinolin-8-yl-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is IPWLFDQFWIRDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2S/c1-10-13(11(2)25)8-14-17(21)18(27-20(14)23-10)19(26)24-16-5-3-4-12-6-7-22-9-15(12)16/h3-9H,21H2,1-2H3,(H,24,26).
What are the key properties of 5-acetyl-3-amino-N-isoquinolin-8-yl-6-methylthieno[2,3-b]pyridine-2-carboxamide?
5-acetyl-3-amino-N-isoquinolin-8-yl-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 376.44 g/mol, XLogP of 4.19, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-amino-N-isoquinolin-8-yl-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 155927644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).