2-[2-[4-amino-2-(2-methylphenyl)sulfanylimidazo[4,5-c]pyridin-1-yl]ethyl]isoindole-1,3-dione

C23H19N5O2S — CID 59808788

IUPAC2-[2-[4-amino-2-(2-methylphenyl)sulfanylimidazo[4,5-c]pyridin-1-yl]ethyl]isoindole-1,3-dione
SMILESCc1ccccc1Sc1nc2c(N)nccc2n1CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H19N5O2S/c1-14-6-2-5-9-18(14)31-23-26-19-17(10-11-25-20(19)24)27(23)12-13-28-21(29)15-7-3-4-8-16(15)22(28)30/h2-11H,12-13H2,1H3,(H2,24,25)
InChIKeyZPOFACLVBIKRBD-UHFFFAOYSA-N
MW429.51 g/mol
LogP3.77
Rot. Bonds5

About 2-[2-[4-amino-2-(2-methylphenyl)sulfanylimidazo[4,5-c]pyridin-1-yl]ethyl]isoindole-1,3-dione

2-[2-[4-amino-2-(2-methylphenyl)sulfanylimidazo[4,5-c]pyridin-1-yl]ethyl]isoindole-1,3-dione (PubChem CID 59808788) has the molecular formula C23H19N5O2S and a molecular weight of 429.51 g/mol. Its IUPAC name is 2-[2-[4-amino-2-(2-methylphenyl)sulfanylimidazo[4,5-c]pyridin-1-yl]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[4-amino-2-(2-methylphenyl)sulfanylimidazo[4,5-c]pyridin-1-yl]ethyl]isoindole-1,3-dione
PubChem CID59808788
Molecular FormulaC23H19N5O2S
Molecular Weight429.51 g/mol
Exact Mass429.13
IUPAC Name2-[2-[4-amino-2-(2-methylphenyl)sulfanylimidazo[4,5-c]pyridin-1-yl]ethyl]isoindole-1,3-dione
SMILESCc1ccccc1Sc1nc2c(N)nccc2n1CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H19N5O2S/c1-14-6-2-5-9-18(14)31-23-26-19-17(10-11-25-20(19)24)27(23)12-13-28-21(29)15-7-3-4-8-16(15)22(28)30/h2-11H,12-13H2,1H3,(H2,24,25)
InChIKeyZPOFACLVBIKRBD-UHFFFAOYSA-N
XLogP3.77
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.51
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-amino-2-(2-methylphenyl)sulfanylimidazo[4,5-c]pyridin-1-yl]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[4-amino-2-(2-methylphenyl)sulfanylimidazo[4,5-c]pyridin-1-yl]ethyl]isoindole-1,3-dione (CID 59808788) is 2-[2-[4-amino-2-(2-methylphenyl)sulfanylimidazo[4,5-c]pyridin-1-yl]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[4-amino-2-(2-methylphenyl)sulfanylimidazo[4,5-c]pyridin-1-yl]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[4-amino-2-(2-methylphenyl)sulfanylimidazo[4,5-c]pyridin-1-yl]ethyl]isoindole-1,3-dione is Cc1ccccc1Sc1nc2c(N)nccc2n1CCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[2-[4-amino-2-(2-methylphenyl)sulfanylimidazo[4,5-c]pyridin-1-yl]ethyl]isoindole-1,3-dione?
The InChIKey is ZPOFACLVBIKRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2S/c1-14-6-2-5-9-18(14)31-23-26-19-17(10-11-25-20(19)24)27(23)12-13-28-21(29)15-7-3-4-8-16(15)22(28)30/h2-11H,12-13H2,1H3,(H2,24,25).
What are the key properties of 2-[2-[4-amino-2-(2-methylphenyl)sulfanylimidazo[4,5-c]pyridin-1-yl]ethyl]isoindole-1,3-dione?
2-[2-[4-amino-2-(2-methylphenyl)sulfanylimidazo[4,5-c]pyridin-1-yl]ethyl]isoindole-1,3-dione has a molecular weight of 429.51 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-amino-2-(2-methylphenyl)sulfanylimidazo[4,5-c]pyridin-1-yl]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 59808788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).