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

C38H32N6O2S2 — CID 158634979

IUPAC(1S)-1-(2-methyl-6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethanamine;2-[(1S)-1-(2-methyl-6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione
SMILESCc1cc2cc([C@H](C)N)c(-c3ccccn3)nc2s1.Cc1cc2cc([C@H](C)N3C(=O)c4ccccc4C3=O)c(-c3ccccn3)nc2s1
InChIInChI=1S/C23H17N3O2S.C15H15N3S/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;1-9-7-11-8-12(10(2)16)14(18-15(11)19-9)13-5-3-4-6-17-13/h3-12,14H,1-2H3;3-8,10H,16H2,1-2H3/t14-;10-/m00/s1
InChIKeyHZQVAWNJJKDEHX-QPADVSNVSA-N
MW668.85 g/mol
LogP8.71
Rot. Bonds5

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

(1S)-1-(2-methyl-6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethanamine;2-[(1S)-1-(2-methyl-6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione (PubChem CID 158634979) has the molecular formula C38H32N6O2S2 and a molecular weight of 668.85 g/mol. Its IUPAC name is (1S)-1-(2-methyl-6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethanamine;2-[(1S)-1-(2-methyl-6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name(1S)-1-(2-methyl-6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethanamine;2-[(1S)-1-(2-methyl-6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione
PubChem CID158634979
Molecular FormulaC38H32N6O2S2
Molecular Weight668.85 g/mol
Exact Mass668.20
IUPAC Name(1S)-1-(2-methyl-6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethanamine;2-[(1S)-1-(2-methyl-6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione
SMILESCc1cc2cc([C@H](C)N)c(-c3ccccn3)nc2s1.Cc1cc2cc([C@H](C)N3C(=O)c4ccccc4C3=O)c(-c3ccccn3)nc2s1
InChIInChI=1S/C23H17N3O2S.C15H15N3S/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;1-9-7-11-8-12(10(2)16)14(18-15(11)19-9)13-5-3-4-6-17-13/h3-12,14H,1-2H3;3-8,10H,16H2,1-2H3/t14-;10-/m00/s1
InChIKeyHZQVAWNJJKDEHX-QPADVSNVSA-N
XLogP8.71
TPSA114.96 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.85
LogP ≤ 58.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze (1S)-1-(2-methyl-6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethanamine;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-[(1S)-1-(2-chloro-7-fluoroquinolin-3-yl)ethyl]isoindole-1,3-dione;2-[(1S)-1-(7-fluoro-2-pyridin-2-ylquinolin-3-yl)ethyl]isoindole-1,3-dione
CID 159326068
(1R)-1-(2,6-dichlorothieno[2,3-b]pyridin-5-yl)ethanol;2-[(1S)-1-(2,6-dichlorothieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione
CID 161019336
4-[(1S)-1-aminoethyl]-5-pyridin-2-ylpyridin-2-amine
CID 155291038
2-[(1R)-1-(3-pyrimidin-2-ylpyrazin-2-yl)ethyl]isoindole-1,3-dione
CID 175763137
2-[1-[8-chloro-2-(5-methyl-1,3,4-thiadiazol-2-yl)quinolin-3-yl]ethyl]isoindole-1,3-dione
CID 76599348
2-[1-[2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]ethyl]isoindole-1,3-dione
CID 58318636
2-(1,3-dioxoisoindol-2-yl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 46513636
2-[1-[2-(3-fluorophenyl)-1,5-naphthyridin-3-yl]ethyl]isoindole-1,3-dione
CID 58318641
2-[(1R)-1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]isoindole-1,3-dione
CID 97286906
2-[1-(2-amino-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione
CID 19761179
1-(5,6-dimethyl-3-pyridin-2-yl-2-pyridinyl)ethanamine
CID 90841311
(2-pyridin-2-yl-1,3-benzoxazol-6-yl) 2-(1,3-dioxoisoindol-2-yl)propanoate
CID 110494772

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-methyl-6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethanamine;2-[(1S)-1-(2-methyl-6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione?
The IUPAC name of (1S)-1-(2-methyl-6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethanamine;2-[(1S)-1-(2-methyl-6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione (CID 158634979) is (1S)-1-(2-methyl-6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethanamine;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 (1S)-1-(2-methyl-6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethanamine;2-[(1S)-1-(2-methyl-6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione?
The canonical SMILES for (1S)-1-(2-methyl-6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethanamine;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)N)c(-c3ccccn3)nc2s1.Cc1cc2cc([C@H](C)N3C(=O)c4ccccc4C3=O)c(-c3ccccn3)nc2s1.
What is the InChIKey of (1S)-1-(2-methyl-6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethanamine;2-[(1S)-1-(2-methyl-6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione?
The InChIKey is HZQVAWNJJKDEHX-QPADVSNVSA-N. The full InChI is InChI=1S/C23H17N3O2S.C15H15N3S/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;1-9-7-11-8-12(10(2)16)14(18-15(11)19-9)13-5-3-4-6-17-13/h3-12,14H,1-2H3;3-8,10H,16H2,1-2H3/t14-;10-/m00/s1.
What are the key properties of (1S)-1-(2-methyl-6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethanamine;2-[(1S)-1-(2-methyl-6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione?
(1S)-1-(2-methyl-6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethanamine;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 668.85 g/mol, XLogP of 8.71, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-methyl-6-pyridin-2-ylthieno[2,3-b]pyridin-5-yl)ethanamine;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 158634979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).