4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]-6-(trifluoromethyl)-1H-pyridin-2-one

C22H19F3N6O2 — CID 59023103

IUPAC4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(-c2cnc(Nc3ccc(N4CCOCC4)cc3)c3nccn23)cc(C(F)(F)F)[nH]1
InChIInChI=1S/C22H19F3N6O2/c23-22(24,25)18-11-14(12-19(32)29-18)17-13-27-20(21-26-5-6-31(17)21)28-15-1-3-16(4-2-15)30-7-9-33-10-8-30/h1-6,11-13H,7-10H2,(H,27,28)(H,29,32)
InChIKeyNPPGKWNPQBSFBO-UHFFFAOYSA-N
MW456.43 g/mol
LogP3.68
Rot. Bonds4

About 4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]-6-(trifluoromethyl)-1H-pyridin-2-one

4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]-6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 59023103) has the molecular formula C22H19F3N6O2 and a molecular weight of 456.43 g/mol. Its IUPAC name is 4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]-6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]-6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID59023103
Molecular FormulaC22H19F3N6O2
Molecular Weight456.43 g/mol
Exact Mass456.15
IUPAC Name4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(-c2cnc(Nc3ccc(N4CCOCC4)cc3)c3nccn23)cc(C(F)(F)F)[nH]1
InChIInChI=1S/C22H19F3N6O2/c23-22(24,25)18-11-14(12-19(32)29-18)17-13-27-20(21-26-5-6-31(17)21)28-15-1-3-16(4-2-15)30-7-9-33-10-8-30/h1-6,11-13H,7-10H2,(H,27,28)(H,29,32)
InChIKeyNPPGKWNPQBSFBO-UHFFFAOYSA-N
XLogP3.68
TPSA87.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.43
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]-6-(trifluoromethyl)-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-ylanilino)imidazo[1,2-a]pyrazin-5-yl]-6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]-6-(trifluoromethyl)-1H-pyridin-2-one (CID 59023103) is 4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]-6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]-6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]-6-(trifluoromethyl)-1H-pyridin-2-one is O=c1cc(-c2cnc(Nc3ccc(N4CCOCC4)cc3)c3nccn23)cc(C(F)(F)F)[nH]1.
What is the InChIKey of 4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]-6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is NPPGKWNPQBSFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N6O2/c23-22(24,25)18-11-14(12-19(32)29-18)17-13-27-20(21-26-5-6-31(17)21)28-15-1-3-16(4-2-15)30-7-9-33-10-8-30/h1-6,11-13H,7-10H2,(H,27,28)(H,29,32).
What are the key properties of 4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]-6-(trifluoromethyl)-1H-pyridin-2-one?
4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]-6-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 456.43 g/mol, XLogP of 3.68, 4 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-ylanilino)imidazo[1,2-a]pyrazin-5-yl]-6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 59023103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).