N-[(Z)-2-[1-(5-fluoro-2-pyridinyl)-5-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-4-yl]ethenyl]methanimine

C20H20FN7O — CID 129213754

IUPACN-[(Z)-2-[1-(5-fluoro-2-pyridinyl)-5-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-4-yl]ethenyl]methanimine
SMILESC=N/C=C\c1nc(-c2cnc(N3CCOCC3)nc2)n(-c2ccc(F)cn2)c1C
InChIInChI=1S/C20H20FN7O/c1-14-17(5-6-22-2)26-19(28(14)18-4-3-16(21)13-23-18)15-11-24-20(25-12-15)27-7-9-29-10-8-27/h3-6,11-13H,2,7-10H2,1H3/b6-5-
InChIKeyHJASGCCFXFOAFP-WAYWQWQTSA-N
MW393.43 g/mol
LogP2.68
Rot. Bonds5

About N-[(Z)-2-[1-(5-fluoro-2-pyridinyl)-5-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-4-yl]ethenyl]methanimine

N-[(Z)-2-[1-(5-fluoro-2-pyridinyl)-5-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-4-yl]ethenyl]methanimine (PubChem CID 129213754) has the molecular formula C20H20FN7O and a molecular weight of 393.43 g/mol. Its IUPAC name is N-[(Z)-2-[1-(5-fluoro-2-pyridinyl)-5-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-4-yl]ethenyl]methanimine.

Molecular Properties

Compound NameN-[(Z)-2-[1-(5-fluoro-2-pyridinyl)-5-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-4-yl]ethenyl]methanimine
PubChem CID129213754
Molecular FormulaC20H20FN7O
Molecular Weight393.43 g/mol
Exact Mass393.17
IUPAC NameN-[(Z)-2-[1-(5-fluoro-2-pyridinyl)-5-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-4-yl]ethenyl]methanimine
SMILESC=N/C=C\c1nc(-c2cnc(N3CCOCC3)nc2)n(-c2ccc(F)cn2)c1C
InChIInChI=1S/C20H20FN7O/c1-14-17(5-6-22-2)26-19(28(14)18-4-3-16(21)13-23-18)15-11-24-20(25-12-15)27-7-9-29-10-8-27/h3-6,11-13H,2,7-10H2,1H3/b6-5-
InChIKeyHJASGCCFXFOAFP-WAYWQWQTSA-N
XLogP2.68
TPSA81.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[(Z)-2-[1-(5-fluoro-2-pyridinyl)-5-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-4-yl]ethenyl]methanimine with MolForge

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

Launch Full Analysis

Related Compounds

N-[(Z)-2-[1-(4-chloro-2-fluorophenyl)-5-methyl-2-(6-morpholin-4-yl-3-pyridinyl)imidazol-4-yl]ethenyl]methanimine
CID 129213711
4-[5-(6-fluoro-1-methylbenzimidazol-2-yl)pyrimidin-2-yl]morpholine
CID 75391034
ethane;2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-5-methylpyrimidine
CID 178161753
4-[5-[3-(2-chloro-4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]pyrimidin-2-yl]morpholine
CID 86270191
4-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-pyridinyl]morpholine
CID 58507795
4-[5-[5-cyclopropyl-2-(4-fluorophenyl)-1,2,4-triazol-3-yl]pyrimidin-2-yl]morpholine
CID 72936138
1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 92554706
4-[6,7-dimethyl-4-(6-methyl-3-pyridinyl)pteridin-2-yl]morpholine
CID 157045468
2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine
CID 165432979
4-[2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
CID 166601129
5-(4,6-dimethylpyrimidin-2-yl)-2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 163352607
2-chloro-5-fluoro-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 53164826

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-[1-(5-fluoro-2-pyridinyl)-5-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-4-yl]ethenyl]methanimine?
The IUPAC name of N-[(Z)-2-[1-(5-fluoro-2-pyridinyl)-5-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-4-yl]ethenyl]methanimine (CID 129213754) is N-[(Z)-2-[1-(5-fluoro-2-pyridinyl)-5-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-4-yl]ethenyl]methanimine.
What is the SMILES notation for N-[(Z)-2-[1-(5-fluoro-2-pyridinyl)-5-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-4-yl]ethenyl]methanimine?
The canonical SMILES for N-[(Z)-2-[1-(5-fluoro-2-pyridinyl)-5-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-4-yl]ethenyl]methanimine is C=N/C=C\c1nc(-c2cnc(N3CCOCC3)nc2)n(-c2ccc(F)cn2)c1C.
What is the InChIKey of N-[(Z)-2-[1-(5-fluoro-2-pyridinyl)-5-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-4-yl]ethenyl]methanimine?
The InChIKey is HJASGCCFXFOAFP-WAYWQWQTSA-N. The full InChI is InChI=1S/C20H20FN7O/c1-14-17(5-6-22-2)26-19(28(14)18-4-3-16(21)13-23-18)15-11-24-20(25-12-15)27-7-9-29-10-8-27/h3-6,11-13H,2,7-10H2,1H3/b6-5-.
What are the key properties of N-[(Z)-2-[1-(5-fluoro-2-pyridinyl)-5-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-4-yl]ethenyl]methanimine?
N-[(Z)-2-[1-(5-fluoro-2-pyridinyl)-5-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-4-yl]ethenyl]methanimine has a molecular weight of 393.43 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-[1-(5-fluoro-2-pyridinyl)-5-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-4-yl]ethenyl]methanimine is sourced from PubChem (CID 129213754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).