4-[8-(4-morpholin-4-ylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one

C22H21N5O4S — CID 71091687

IUPAC4-[8-(4-morpholin-4-ylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one
SMILESO=c1cc(-c2ccc(Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)c3nccn23)cc[nH]1
InChIInChI=1S/C22H21N5O4S/c28-21-15-16(7-8-23-21)20-6-5-19(22-24-9-10-27(20)22)25-17-1-3-18(4-2-17)32(29,30)26-11-13-31-14-12-26/h1-10,15,25H,11-14H2,(H,23,28)
InChIKeyYMWWTBRZRKLICM-UHFFFAOYSA-N
MW451.51 g/mol
LogP2.45
Rot. Bonds5

About 4-[8-(4-morpholin-4-ylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one

4-[8-(4-morpholin-4-ylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one (PubChem CID 71091687) has the molecular formula C22H21N5O4S and a molecular weight of 451.51 g/mol. Its IUPAC name is 4-[8-(4-morpholin-4-ylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[8-(4-morpholin-4-ylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one
PubChem CID71091687
Molecular FormulaC22H21N5O4S
Molecular Weight451.51 g/mol
Exact Mass451.13
IUPAC Name4-[8-(4-morpholin-4-ylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one
SMILESO=c1cc(-c2ccc(Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)c3nccn23)cc[nH]1
InChIInChI=1S/C22H21N5O4S/c28-21-15-16(7-8-23-21)20-6-5-19(22-24-9-10-27(20)22)25-17-1-3-18(4-2-17)32(29,30)26-11-13-31-14-12-26/h1-10,15,25H,11-14H2,(H,23,28)
InChIKeyYMWWTBRZRKLICM-UHFFFAOYSA-N
XLogP2.45
TPSA108.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.51
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[8-(4-morpholin-4-ylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[8-(4-morpholin-4-ylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[8-(4-morpholin-4-ylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one (CID 71091687) is 4-[8-(4-morpholin-4-ylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[8-(4-morpholin-4-ylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[8-(4-morpholin-4-ylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one is O=c1cc(-c2ccc(Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)c3nccn23)cc[nH]1.
What is the InChIKey of 4-[8-(4-morpholin-4-ylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one?
The InChIKey is YMWWTBRZRKLICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O4S/c28-21-15-16(7-8-23-21)20-6-5-19(22-24-9-10-27(20)22)25-17-1-3-18(4-2-17)32(29,30)26-11-13-31-14-12-26/h1-10,15,25H,11-14H2,(H,23,28).
What are the key properties of 4-[8-(4-morpholin-4-ylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one?
4-[8-(4-morpholin-4-ylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one has a molecular weight of 451.51 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(4-morpholin-4-ylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one is sourced from PubChem (CID 71091687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).