5-[8-(4-piperidin-1-ylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one

C26H25N5O3S — CID 58046107

IUPAC5-[8-(4-piperidin-1-ylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2cc(-c3ccc(Nc4ccc(S(=O)(=O)N5CCCCC5)cc4)c4nccn34)ccc21
InChIInChI=1S/C26H25N5O3S/c32-26-22-9-4-18(16-19(22)17-28-26)24-11-10-23(25-27-12-15-31(24)25)29-20-5-7-21(8-6-20)35(33,34)30-13-2-1-3-14-30/h4-12,15-16,29H,1-3,13-14,17H2,(H,28,32)
InChIKeyGYUGYDVSHGMGDY-UHFFFAOYSA-N
MW487.59 g/mol
LogP4.16
Rot. Bonds5

About 5-[8-(4-piperidin-1-ylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one

5-[8-(4-piperidin-1-ylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one (PubChem CID 58046107) has the molecular formula C26H25N5O3S and a molecular weight of 487.59 g/mol. Its IUPAC name is 5-[8-(4-piperidin-1-ylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name5-[8-(4-piperidin-1-ylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
PubChem CID58046107
Molecular FormulaC26H25N5O3S
Molecular Weight487.59 g/mol
Exact Mass487.17
IUPAC Name5-[8-(4-piperidin-1-ylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2cc(-c3ccc(Nc4ccc(S(=O)(=O)N5CCCCC5)cc4)c4nccn34)ccc21
InChIInChI=1S/C26H25N5O3S/c32-26-22-9-4-18(16-19(22)17-28-26)24-11-10-23(25-27-12-15-31(24)25)29-20-5-7-21(8-6-20)35(33,34)30-13-2-1-3-14-30/h4-12,15-16,29H,1-3,13-14,17H2,(H,28,32)
InChIKeyGYUGYDVSHGMGDY-UHFFFAOYSA-N
XLogP4.16
TPSA95.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.59
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[8-(4-piperidin-1-ylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one?
The IUPAC name of 5-[8-(4-piperidin-1-ylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one (CID 58046107) is 5-[8-(4-piperidin-1-ylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 5-[8-(4-piperidin-1-ylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one?
The canonical SMILES for 5-[8-(4-piperidin-1-ylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one is O=C1NCc2cc(-c3ccc(Nc4ccc(S(=O)(=O)N5CCCCC5)cc4)c4nccn34)ccc21.
What is the InChIKey of 5-[8-(4-piperidin-1-ylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one?
The InChIKey is GYUGYDVSHGMGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O3S/c32-26-22-9-4-18(16-19(22)17-28-26)24-11-10-23(25-27-12-15-31(24)25)29-20-5-7-21(8-6-20)35(33,34)30-13-2-1-3-14-30/h4-12,15-16,29H,1-3,13-14,17H2,(H,28,32).
What are the key properties of 5-[8-(4-piperidin-1-ylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one?
5-[8-(4-piperidin-1-ylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one has a molecular weight of 487.59 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-(4-piperidin-1-ylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 58046107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).