1-(6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethanamine;2-[1-(6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione

C36H28N6O2S2 — CID 66633233

IUPAC1-(6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethanamine;2-[1-(6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione
SMILESCC(N)c1cc2ccsc2nc1-c1ccccn1.CC(c1cc2ccsc2nc1-c1ccccn1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H15N3O2S.C14H13N3S/c1-13(25-21(26)15-6-2-3-7-16(15)22(25)27)17-12-14-9-11-28-20(14)24-19(17)18-8-4-5-10-23-18;1-9(15)11-8-10-5-7-18-14(10)17-13(11)12-4-2-3-6-16-12/h2-13H,1H3;2-9H,15H2,1H3
InChIKeyXUMDQLASVZAPJF-UHFFFAOYSA-N
MW640.79 g/mol
LogP8.09
Rot. Bonds5

About 1-(6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethanamine;2-[1-(6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione

1-(6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethanamine;2-[1-(6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione (PubChem CID 66633233) has the molecular formula C36H28N6O2S2 and a molecular weight of 640.79 g/mol. Its IUPAC name is 1-(6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethanamine;2-[1-(6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name1-(6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethanamine;2-[1-(6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione
PubChem CID66633233
Molecular FormulaC36H28N6O2S2
Molecular Weight640.79 g/mol
Exact Mass640.17
IUPAC Name1-(6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethanamine;2-[1-(6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione
SMILESCC(N)c1cc2ccsc2nc1-c1ccccn1.CC(c1cc2ccsc2nc1-c1ccccn1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H15N3O2S.C14H13N3S/c1-13(25-21(26)15-6-2-3-7-16(15)22(25)27)17-12-14-9-11-28-20(14)24-19(17)18-8-4-5-10-23-18;1-9(15)11-8-10-5-7-18-14(10)17-13(11)12-4-2-3-6-16-12/h2-13H,1H3;2-9H,15H2,1H3
InChIKeyXUMDQLASVZAPJF-UHFFFAOYSA-N
XLogP8.09
TPSA114.96 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.79
LogP ≤ 58.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-(6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethanamine;2-[1-(6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione with MolForge

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Launch Full Analysis

Related Compounds

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-thiophen-3-ylindolizine-2-carboxamide
CID 86272489
1-(4-{2-oxo-2-[1-(2-pyridinyl)-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl]ethyl}-2-thienyl)ethanone
CID 16187767
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-thiophen-2-ylindolizine-2-carboxamide
CID 86272495
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-thiophen-3-ylindolizine-2-carboxamide
CID 86272718
[3-[3-Amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 118059029
3-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]-N-prop-2-enylbenzamide
CID 118059045
3-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]-N-[2-(dimethylamino)ethyl]benzamide
CID 118059056
6-[2-Amino-1-(1-benzothiophen-3-yl)ethyl]-3-pyridin-3-yl-4,5-dihydrothieno[2,3-c]pyridin-7-one
CID 171349778
4,6-dimethyl-N-[1-[6-[[4-methyl-2-[[1-[6-(trifluoromethyl)pyridin-3-yl]azetidin-3-yl]carbamoyl]thieno[2,3-b]pyridin-6-yl]methyl]pyridin-3-yl]azetidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 123229701
N-[(2R)-1-(1,3-dioxoisoindol-2-yl)-3-pyridin-2-ylpropan-2-yl]-3-fluoro-2-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 142384417
4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(6-pyridin-4-ylthieno[2,3-b]pyridin-4-yl)methyl]phenyl]-3-(trifluoromethyl)benzamide
CID 146581324
N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[(6-pyridin-4-ylthieno[2,3-b]pyridin-4-yl)methyl]benzamide
CID 146581440

Frequently Asked Questions

What is the IUPAC name of 1-(6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethanamine;2-[1-(6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione?
The IUPAC name of 1-(6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethanamine;2-[1-(6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione (CID 66633233) is 1-(6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethanamine;2-[1-(6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione.
What is the SMILES notation for 1-(6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethanamine;2-[1-(6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione?
The canonical SMILES for 1-(6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethanamine;2-[1-(6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione is CC(N)c1cc2ccsc2nc1-c1ccccn1.CC(c1cc2ccsc2nc1-c1ccccn1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 1-(6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethanamine;2-[1-(6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione?
The InChIKey is XUMDQLASVZAPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O2S.C14H13N3S/c1-13(25-21(26)15-6-2-3-7-16(15)22(25)27)17-12-14-9-11-28-20(14)24-19(17)18-8-4-5-10-23-18;1-9(15)11-8-10-5-7-18-14(10)17-13(11)12-4-2-3-6-16-12/h2-13H,1H3;2-9H,15H2,1H3.
What are the key properties of 1-(6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethanamine;2-[1-(6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione?
1-(6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethanamine;2-[1-(6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione has a molecular weight of 640.79 g/mol, XLogP of 8.09, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethanamine;2-[1-(6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 66633233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).