5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-[(1-methylimidazol-2-yl)methyl]pyridin-2-one

C25H24N8O2 — CID 129057678

IUPAC5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-[(1-methylimidazol-2-yl)methyl]pyridin-2-one
SMILESCNCc1ccc(-c2cc(-c3nc(-c4ccc(=O)n(Cc5nccn5C)c4)cnc3N)on2)cc1
InChIInChI=1S/C25H24N8O2/c1-27-12-16-3-5-17(6-4-16)19-11-21(35-31-19)24-25(26)29-13-20(30-24)18-7-8-23(34)33(14-18)15-22-28-9-10-32(22)2/h3-11,13-14,27H,12,15H2,1-2H3,(H2,26,29)
InChIKeyULTDFUZBGCNILS-UHFFFAOYSA-N
MW468.52 g/mol
LogP2.71
Rot. Bonds7

About 5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-[(1-methylimidazol-2-yl)methyl]pyridin-2-one

5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-[(1-methylimidazol-2-yl)methyl]pyridin-2-one (PubChem CID 129057678) has the molecular formula C25H24N8O2 and a molecular weight of 468.52 g/mol. Its IUPAC name is 5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-[(1-methylimidazol-2-yl)methyl]pyridin-2-one.

Molecular Properties

Compound Name5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-[(1-methylimidazol-2-yl)methyl]pyridin-2-one
PubChem CID129057678
Molecular FormulaC25H24N8O2
Molecular Weight468.52 g/mol
Exact Mass468.20
IUPAC Name5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-[(1-methylimidazol-2-yl)methyl]pyridin-2-one
SMILESCNCc1ccc(-c2cc(-c3nc(-c4ccc(=O)n(Cc5nccn5C)c4)cnc3N)on2)cc1
InChIInChI=1S/C25H24N8O2/c1-27-12-16-3-5-17(6-4-16)19-11-21(35-31-19)24-25(26)29-13-20(30-24)18-7-8-23(34)33(14-18)15-22-28-9-10-32(22)2/h3-11,13-14,27H,12,15H2,1-2H3,(H2,26,29)
InChIKeyULTDFUZBGCNILS-UHFFFAOYSA-N
XLogP2.71
TPSA129.68 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.52
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

N-Tert-Butyl-2-[4-(3,5-Dimethyl-1,2-Oxazol-4-Yl)phenyl]imidazo[1,2-A]pyrazin-3-Amine
CID 86208116
1-(4-benzoylpiperazin-1-yl)-2-[4-(3-methylisoxazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]ethane-1,2-dione
CID 59729296
US12331044, Example 59
CID 155925379
6-cyclopropyl-N-(5-phenyl-1,2-oxazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53329533
4-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 67388758
7-Ethyl-2-(3-phenyl-5-isoxazolyl)imidazo[1,2-a]pyridine
CID 2812530
6-Methyl-2-(3-phenyl-5-isoxazolyl)imidazo[1,2-a]pyridine
CID 2813808
N-(3-imidazol-1-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 2962284
N-isopropyl-2-(4-(3,5-dimethylisoxazol-4-yl)phenyl)imidazo[1,2-a]pyrazin-3-amine
CID 117834061
3-(Tert-butylamino)-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyridine-6-carboxylic acid
CID 117834596
N-cyclohexyl-2-[4-(3,5-dimethyl-4-isoxazolyl)phenyl]-imidazo[1,2-a]pyridin-3-amine
CID 117834606
N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyridin-3-amine
CID 117841261

Frequently Asked Questions

What is the IUPAC name of 5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-[(1-methylimidazol-2-yl)methyl]pyridin-2-one?
The IUPAC name of 5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-[(1-methylimidazol-2-yl)methyl]pyridin-2-one (CID 129057678) is 5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-[(1-methylimidazol-2-yl)methyl]pyridin-2-one.
What is the SMILES notation for 5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-[(1-methylimidazol-2-yl)methyl]pyridin-2-one?
The canonical SMILES for 5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-[(1-methylimidazol-2-yl)methyl]pyridin-2-one is CNCc1ccc(-c2cc(-c3nc(-c4ccc(=O)n(Cc5nccn5C)c4)cnc3N)on2)cc1.
What is the InChIKey of 5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-[(1-methylimidazol-2-yl)methyl]pyridin-2-one?
The InChIKey is ULTDFUZBGCNILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N8O2/c1-27-12-16-3-5-17(6-4-16)19-11-21(35-31-19)24-25(26)29-13-20(30-24)18-7-8-23(34)33(14-18)15-22-28-9-10-32(22)2/h3-11,13-14,27H,12,15H2,1-2H3,(H2,26,29).
What are the key properties of 5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-[(1-methylimidazol-2-yl)methyl]pyridin-2-one?
5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-[(1-methylimidazol-2-yl)methyl]pyridin-2-one has a molecular weight of 468.52 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-[(1-methylimidazol-2-yl)methyl]pyridin-2-one is sourced from PubChem (CID 129057678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).