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

C25H23N5O4S — CID 139569109

IUPAC2-[(2S)-3-[1-(benzenesulfonyl)pyrazolo[3,4-c]pyridin-5-yl]-2-(dimethylamino)propyl]isoindole-1,3-dione
SMILESCN(C)[C@@H](Cc1cc2cnn(S(=O)(=O)c3ccccc3)c2cn1)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C25H23N5O4S/c1-28(2)19(16-29-24(31)21-10-6-7-11-22(21)25(29)32)13-18-12-17-14-27-30(23(17)15-26-18)35(33,34)20-8-4-3-5-9-20/h3-12,14-15,19H,13,16H2,1-2H3/t19-/m0/s1
InChIKeyVOHHOFYIGNLDSV-IBGZPJMESA-N
MW489.56 g/mol
LogP2.44
Rot. Bonds7

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

2-[(2S)-3-[1-(benzenesulfonyl)pyrazolo[3,4-c]pyridin-5-yl]-2-(dimethylamino)propyl]isoindole-1,3-dione (PubChem CID 139569109) has the molecular formula C25H23N5O4S and a molecular weight of 489.56 g/mol. Its IUPAC name is 2-[(2S)-3-[1-(benzenesulfonyl)pyrazolo[3,4-c]pyridin-5-yl]-2-(dimethylamino)propyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(2S)-3-[1-(benzenesulfonyl)pyrazolo[3,4-c]pyridin-5-yl]-2-(dimethylamino)propyl]isoindole-1,3-dione
PubChem CID139569109
Molecular FormulaC25H23N5O4S
Molecular Weight489.56 g/mol
Exact Mass489.15
IUPAC Name2-[(2S)-3-[1-(benzenesulfonyl)pyrazolo[3,4-c]pyridin-5-yl]-2-(dimethylamino)propyl]isoindole-1,3-dione
SMILESCN(C)[C@@H](Cc1cc2cnn(S(=O)(=O)c3ccccc3)c2cn1)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C25H23N5O4S/c1-28(2)19(16-29-24(31)21-10-6-7-11-22(21)25(29)32)13-18-12-17-14-27-30(23(17)15-26-18)35(33,34)20-8-4-3-5-9-20/h3-12,14-15,19H,13,16H2,1-2H3/t19-/m0/s1
InChIKeyVOHHOFYIGNLDSV-IBGZPJMESA-N
XLogP2.44
TPSA105.47 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.56
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

7-methyl-3,5-dioxo-4-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,8-diazatricyclo[7.4.0.0^{2,6}]trideca-1(13),2(6),7,9,11-pentaene-12-sulfonamide
CID 23645159
1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278436
4-[[[3-(1-methylpyrazol-3-yl)phenyl]sulfonylamino]methyl]-N-pyridin-3-ylbenzamide
CID 70654733
[2-(3-Fluorophenyl)-5-methylsulfonylphenyl]-[2-(5-fluoro-3-pyridinyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]methanone
CID 118479034
[2-(3-Fluorophenyl)-5-methylsulfonylphenyl]-[2-(2-methyl-4-pyridinyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]methanone
CID 118479229
N-[[4-[[(2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 130431497
N-[[4-[[(3-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 130431517
1-methyl-4-methylsulfonyl-N-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide
CID 165415027
[3-methyl-4-[[7-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]sulfonyl]piperazin-1-yl]-phenylmethanone
CID 24748866
[(3R)-4-[[4-fluoro-7-(triazol-2-yl)-1H-indol-3-yl]sulfonyl]-3-methyl-piperazin-1-yl]-phenyl-methanone
CID 24750402
4-Methyl-1,3-dioxo-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolo[3,4-c]quinoline-8-sulfonic acid;pyridine
CID 49796927
4-(3,5-dimethylpyrazol-1-yl)-N-[5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide
CID 73296861

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-3-[1-(benzenesulfonyl)pyrazolo[3,4-c]pyridin-5-yl]-2-(dimethylamino)propyl]isoindole-1,3-dione?
The IUPAC name of 2-[(2S)-3-[1-(benzenesulfonyl)pyrazolo[3,4-c]pyridin-5-yl]-2-(dimethylamino)propyl]isoindole-1,3-dione (CID 139569109) is 2-[(2S)-3-[1-(benzenesulfonyl)pyrazolo[3,4-c]pyridin-5-yl]-2-(dimethylamino)propyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(2S)-3-[1-(benzenesulfonyl)pyrazolo[3,4-c]pyridin-5-yl]-2-(dimethylamino)propyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(2S)-3-[1-(benzenesulfonyl)pyrazolo[3,4-c]pyridin-5-yl]-2-(dimethylamino)propyl]isoindole-1,3-dione is CN(C)[C@@H](Cc1cc2cnn(S(=O)(=O)c3ccccc3)c2cn1)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[(2S)-3-[1-(benzenesulfonyl)pyrazolo[3,4-c]pyridin-5-yl]-2-(dimethylamino)propyl]isoindole-1,3-dione?
The InChIKey is VOHHOFYIGNLDSV-IBGZPJMESA-N. The full InChI is InChI=1S/C25H23N5O4S/c1-28(2)19(16-29-24(31)21-10-6-7-11-22(21)25(29)32)13-18-12-17-14-27-30(23(17)15-26-18)35(33,34)20-8-4-3-5-9-20/h3-12,14-15,19H,13,16H2,1-2H3/t19-/m0/s1.
What are the key properties of 2-[(2S)-3-[1-(benzenesulfonyl)pyrazolo[3,4-c]pyridin-5-yl]-2-(dimethylamino)propyl]isoindole-1,3-dione?
2-[(2S)-3-[1-(benzenesulfonyl)pyrazolo[3,4-c]pyridin-5-yl]-2-(dimethylamino)propyl]isoindole-1,3-dione has a molecular weight of 489.56 g/mol, XLogP of 2.44, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-3-[1-(benzenesulfonyl)pyrazolo[3,4-c]pyridin-5-yl]-2-(dimethylamino)propyl]isoindole-1,3-dione is sourced from PubChem (CID 139569109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).