5-[8-[4-(benzenesulfonyl)anilino]imidazo[1,2-a]pyridin-5-yl]isoindol-1-one

C27H18N4O3S — CID 67120821

IUPAC5-[8-[4-(benzenesulfonyl)anilino]imidazo[1,2-a]pyridin-5-yl]isoindol-1-one
SMILESO=C1N=Cc2cc(-c3ccc(Nc4ccc(S(=O)(=O)c5ccccc5)cc4)c4nccn34)ccc21
InChIInChI=1S/C27H18N4O3S/c32-27-23-11-6-18(16-19(23)17-29-27)25-13-12-24(26-28-14-15-31(25)26)30-20-7-9-22(10-8-20)35(33,34)21-4-2-1-3-5-21/h1-17,30H
InChIKeyNBRFPOFGOYMEAQ-UHFFFAOYSA-N
MW478.53 g/mol
LogP5.15
Rot. Bonds5

About 5-[8-[4-(benzenesulfonyl)anilino]imidazo[1,2-a]pyridin-5-yl]isoindol-1-one

5-[8-[4-(benzenesulfonyl)anilino]imidazo[1,2-a]pyridin-5-yl]isoindol-1-one (PubChem CID 67120821) has the molecular formula C27H18N4O3S and a molecular weight of 478.53 g/mol. Its IUPAC name is 5-[8-[4-(benzenesulfonyl)anilino]imidazo[1,2-a]pyridin-5-yl]isoindol-1-one.

Molecular Properties

Compound Name5-[8-[4-(benzenesulfonyl)anilino]imidazo[1,2-a]pyridin-5-yl]isoindol-1-one
PubChem CID67120821
Molecular FormulaC27H18N4O3S
Molecular Weight478.53 g/mol
Exact Mass478.11
IUPAC Name5-[8-[4-(benzenesulfonyl)anilino]imidazo[1,2-a]pyridin-5-yl]isoindol-1-one
SMILESO=C1N=Cc2cc(-c3ccc(Nc4ccc(S(=O)(=O)c5ccccc5)cc4)c4nccn34)ccc21
InChIInChI=1S/C27H18N4O3S/c32-27-23-11-6-18(16-19(23)17-29-27)25-13-12-24(26-28-14-15-31(25)26)30-20-7-9-22(10-8-20)35(33,34)21-4-2-1-3-5-21/h1-17,30H
InChIKeyNBRFPOFGOYMEAQ-UHFFFAOYSA-N
XLogP5.15
TPSA92.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.53
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[8-[4-(benzenesulfonyl)anilino]imidazo[1,2-a]pyridin-5-yl]isoindol-1-one?
The IUPAC name of 5-[8-[4-(benzenesulfonyl)anilino]imidazo[1,2-a]pyridin-5-yl]isoindol-1-one (CID 67120821) is 5-[8-[4-(benzenesulfonyl)anilino]imidazo[1,2-a]pyridin-5-yl]isoindol-1-one.
What is the SMILES notation for 5-[8-[4-(benzenesulfonyl)anilino]imidazo[1,2-a]pyridin-5-yl]isoindol-1-one?
The canonical SMILES for 5-[8-[4-(benzenesulfonyl)anilino]imidazo[1,2-a]pyridin-5-yl]isoindol-1-one is O=C1N=Cc2cc(-c3ccc(Nc4ccc(S(=O)(=O)c5ccccc5)cc4)c4nccn34)ccc21.
What is the InChIKey of 5-[8-[4-(benzenesulfonyl)anilino]imidazo[1,2-a]pyridin-5-yl]isoindol-1-one?
The InChIKey is NBRFPOFGOYMEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N4O3S/c32-27-23-11-6-18(16-19(23)17-29-27)25-13-12-24(26-28-14-15-31(25)26)30-20-7-9-22(10-8-20)35(33,34)21-4-2-1-3-5-21/h1-17,30H.
What are the key properties of 5-[8-[4-(benzenesulfonyl)anilino]imidazo[1,2-a]pyridin-5-yl]isoindol-1-one?
5-[8-[4-(benzenesulfonyl)anilino]imidazo[1,2-a]pyridin-5-yl]isoindol-1-one has a molecular weight of 478.53 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-[4-(benzenesulfonyl)anilino]imidazo[1,2-a]pyridin-5-yl]isoindol-1-one is sourced from PubChem (CID 67120821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).