2-[(2S)-2-amino-3-[1-(benzenesulfonyl)pyrazolo[3,4-c]pyridin-5-yl]propyl]isoindole-1,3-dione

C23H19N5O4S — CID 139568914

IUPAC2-[(2S)-2-amino-3-[1-(benzenesulfonyl)pyrazolo[3,4-c]pyridin-5-yl]propyl]isoindole-1,3-dione
SMILESN[C@@H](Cc1cc2cnn(S(=O)(=O)c3ccccc3)c2cn1)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H19N5O4S/c24-16(14-27-22(29)19-8-4-5-9-20(19)23(27)30)11-17-10-15-12-26-28(21(15)13-25-17)33(31,32)18-6-2-1-3-7-18/h1-10,12-13,16H,11,14,24H2/t16-/m0/s1
InChIKeyKEUAYSXHKSALGL-INIZCTEOSA-N
MW461.50 g/mol
LogP1.83
Rot. Bonds6

About 2-[(2S)-2-amino-3-[1-(benzenesulfonyl)pyrazolo[3,4-c]pyridin-5-yl]propyl]isoindole-1,3-dione

2-[(2S)-2-amino-3-[1-(benzenesulfonyl)pyrazolo[3,4-c]pyridin-5-yl]propyl]isoindole-1,3-dione (PubChem CID 139568914) has the molecular formula C23H19N5O4S and a molecular weight of 461.50 g/mol. Its IUPAC name is 2-[(2S)-2-amino-3-[1-(benzenesulfonyl)pyrazolo[3,4-c]pyridin-5-yl]propyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(2S)-2-amino-3-[1-(benzenesulfonyl)pyrazolo[3,4-c]pyridin-5-yl]propyl]isoindole-1,3-dione
PubChem CID139568914
Molecular FormulaC23H19N5O4S
Molecular Weight461.50 g/mol
Exact Mass461.12
IUPAC Name2-[(2S)-2-amino-3-[1-(benzenesulfonyl)pyrazolo[3,4-c]pyridin-5-yl]propyl]isoindole-1,3-dione
SMILESN[C@@H](Cc1cc2cnn(S(=O)(=O)c3ccccc3)c2cn1)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H19N5O4S/c24-16(14-27-22(29)19-8-4-5-9-20(19)23(27)30)11-17-10-15-12-26-28(21(15)13-25-17)33(31,32)18-6-2-1-3-7-18/h1-10,12-13,16H,11,14,24H2/t16-/m0/s1
InChIKeyKEUAYSXHKSALGL-INIZCTEOSA-N
XLogP1.83
TPSA128.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.50
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-[(2S)-2-amino-3-[1-(benzenesulfonyl)pyrazolo[3,4-c]pyridin-5-yl]propyl]isoindole-1,3-dione?
The IUPAC name of 2-[(2S)-2-amino-3-[1-(benzenesulfonyl)pyrazolo[3,4-c]pyridin-5-yl]propyl]isoindole-1,3-dione (CID 139568914) is 2-[(2S)-2-amino-3-[1-(benzenesulfonyl)pyrazolo[3,4-c]pyridin-5-yl]propyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(2S)-2-amino-3-[1-(benzenesulfonyl)pyrazolo[3,4-c]pyridin-5-yl]propyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(2S)-2-amino-3-[1-(benzenesulfonyl)pyrazolo[3,4-c]pyridin-5-yl]propyl]isoindole-1,3-dione is N[C@@H](Cc1cc2cnn(S(=O)(=O)c3ccccc3)c2cn1)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[(2S)-2-amino-3-[1-(benzenesulfonyl)pyrazolo[3,4-c]pyridin-5-yl]propyl]isoindole-1,3-dione?
The InChIKey is KEUAYSXHKSALGL-INIZCTEOSA-N. The full InChI is InChI=1S/C23H19N5O4S/c24-16(14-27-22(29)19-8-4-5-9-20(19)23(27)30)11-17-10-15-12-26-28(21(15)13-25-17)33(31,32)18-6-2-1-3-7-18/h1-10,12-13,16H,11,14,24H2/t16-/m0/s1.
What are the key properties of 2-[(2S)-2-amino-3-[1-(benzenesulfonyl)pyrazolo[3,4-c]pyridin-5-yl]propyl]isoindole-1,3-dione?
2-[(2S)-2-amino-3-[1-(benzenesulfonyl)pyrazolo[3,4-c]pyridin-5-yl]propyl]isoindole-1,3-dione has a molecular weight of 461.50 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-amino-3-[1-(benzenesulfonyl)pyrazolo[3,4-c]pyridin-5-yl]propyl]isoindole-1,3-dione is sourced from PubChem (CID 139568914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).