2-[(1S)-1-(6-chloro-2-methylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione;2-[(1S)-1-(2-methyl-6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione

C41H30ClN5O4S2 — CID 157195709

IUPAC2-[(1S)-1-(6-chloro-2-methylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione;2-[(1S)-1-(2-methyl-6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione
SMILESCc1cc2cc([C@H](C)N3C(=O)c4ccccc4C3=O)c(-c3ccccn3)nc2s1.Cc1cc2cc([C@H](C)N3C(=O)c4ccccc4C3=O)c(Cl)nc2s1
InChIInChI=1S/C23H17N3O2S.C18H13ClN2O2S/c1-13-11-15-12-18(20(25-21(15)29-13)19-9-5-6-10-24-19)14(2)26-22(27)16-7-3-4-8-17(16)23(26)28;1-9-7-11-8-14(15(19)20-16(11)24-9)10(2)21-17(22)12-5-3-4-6-13(12)18(21)23/h3-12,14H,1-2H3;3-8,10H,1-2H3/t14-;10-/m00/s1
InChIKeyAQFMXKDWOKRWJV-QPADVSNVSA-N
MW756.31 g/mol
LogP9.64
Rot. Bonds5

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

2-[(1S)-1-(6-chloro-2-methylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione;2-[(1S)-1-(2-methyl-6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione (PubChem CID 157195709) has the molecular formula C41H30ClN5O4S2 and a molecular weight of 756.31 g/mol. Its IUPAC name is 2-[(1S)-1-(6-chloro-2-methylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione;2-[(1S)-1-(2-methyl-6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(1S)-1-(6-chloro-2-methylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione;2-[(1S)-1-(2-methyl-6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione
PubChem CID157195709
Molecular FormulaC41H30ClN5O4S2
Molecular Weight756.31 g/mol
Exact Mass755.14
IUPAC Name2-[(1S)-1-(6-chloro-2-methylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione;2-[(1S)-1-(2-methyl-6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione
SMILESCc1cc2cc([C@H](C)N3C(=O)c4ccccc4C3=O)c(-c3ccccn3)nc2s1.Cc1cc2cc([C@H](C)N3C(=O)c4ccccc4C3=O)c(Cl)nc2s1
InChIInChI=1S/C23H17N3O2S.C18H13ClN2O2S/c1-13-11-15-12-18(20(25-21(15)29-13)19-9-5-6-10-24-19)14(2)26-22(27)16-7-3-4-8-17(16)23(26)28;1-9-7-11-8-14(15(19)20-16(11)24-9)10(2)21-17(22)12-5-3-4-6-13(12)18(21)23/h3-12,14H,1-2H3;3-8,10H,1-2H3/t14-;10-/m00/s1
InChIKeyAQFMXKDWOKRWJV-QPADVSNVSA-N
XLogP9.64
TPSA113.43 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.31
LogP ≤ 59.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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

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Related Compounds

2-[[5-Chloro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-4-pyridinyl]methyl]isoindole-1,3-dione;2-[(2,5-dichloro-4-pyridinyl)methyl]isoindole-1,3-dione;5-methyl-2-(trifluoromethyl)-1,3-thiazole
CID 157253852
[5-Chloro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-4-pyridinyl]methanamine;2-[[5-chloro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-4-pyridinyl]methyl]isoindole-1,3-dione
CID 161847421
2-(4-Chlorophenyl)-3-[5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carbonyl]-3,6,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-trien-7-one
CID 59025830
2-[1-(2-Methyl-6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione
CID 66631834
2-[2-(2-Methyl-6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione
CID 66631835
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
2-(1-(6-(Pyridin-2-yl)thieno[2,3-b]pyridin-5-yl)ethyl)isoindoline-1,3-dione
CID 66633234
2-[(1S)-1-(2-chlorothieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione
CID 66633345
2-[(1S)-1-(4-chlorothieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione
CID 66633346
2-[1-(2-Chlorothieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione
CID 66633347
(S)-2-(1-(2-methyl-6-(pyridin-2-yl)thieno[2,3-b]pyridin-5-yl)ethyl)isoindoline-1,3-dione
CID 66633726
5-Ethyl-2-methyl-6-pyridin-2-ylthieno[2,3-b]pyridine;isoindole-1,3-dione
CID 144306883

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-(6-chloro-2-methylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione;2-[(1S)-1-(2-methyl-6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[(1S)-1-(6-chloro-2-methylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione;2-[(1S)-1-(2-methyl-6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione (CID 157195709) is 2-[(1S)-1-(6-chloro-2-methylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione;2-[(1S)-1-(2-methyl-6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(1S)-1-(6-chloro-2-methylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione;2-[(1S)-1-(2-methyl-6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(1S)-1-(6-chloro-2-methylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione;2-[(1S)-1-(2-methyl-6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione is Cc1cc2cc([C@H](C)N3C(=O)c4ccccc4C3=O)c(-c3ccccn3)nc2s1.Cc1cc2cc([C@H](C)N3C(=O)c4ccccc4C3=O)c(Cl)nc2s1.
What is the InChIKey of 2-[(1S)-1-(6-chloro-2-methylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione;2-[(1S)-1-(2-methyl-6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione?
The InChIKey is AQFMXKDWOKRWJV-QPADVSNVSA-N. The full InChI is InChI=1S/C23H17N3O2S.C18H13ClN2O2S/c1-13-11-15-12-18(20(25-21(15)29-13)19-9-5-6-10-24-19)14(2)26-22(27)16-7-3-4-8-17(16)23(26)28;1-9-7-11-8-14(15(19)20-16(11)24-9)10(2)21-17(22)12-5-3-4-6-13(12)18(21)23/h3-12,14H,1-2H3;3-8,10H,1-2H3/t14-;10-/m00/s1.
What are the key properties of 2-[(1S)-1-(6-chloro-2-methylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione;2-[(1S)-1-(2-methyl-6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione?
2-[(1S)-1-(6-chloro-2-methylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione;2-[(1S)-1-(2-methyl-6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione has a molecular weight of 756.31 g/mol, XLogP of 9.64, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-(6-chloro-2-methylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione;2-[(1S)-1-(2-methyl-6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 157195709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).