(Z)-3-amino-4-[amino-[5-(3-fluoro-5-morpholin-4-ylphenyl)-2-methyl-3-pyridinyl]amino]but-3-en-2-one

C20H24FN5O2 — CID 143628373

IUPAC(Z)-3-amino-4-[amino-[5-(3-fluoro-5-morpholin-4-ylphenyl)-2-methyl-3-pyridinyl]amino]but-3-en-2-one
SMILESCC(=O)/C(N)=C/N(N)c1cc(-c2cc(F)cc(N3CCOCC3)c2)cnc1C
InChIInChI=1S/C20H24FN5O2/c1-13-20(26(23)12-19(22)14(2)27)9-16(11-24-13)15-7-17(21)10-18(8-15)25-3-5-28-6-4-25/h7-12H,3-6,22-23H2,1-2H3/b19-12-
InChIKeyWOKULLBGONXASD-UNOMPAQXSA-N
MW385.44 g/mol
LogP2.10
Rot. Bonds5

About (Z)-3-amino-4-[amino-[5-(3-fluoro-5-morpholin-4-ylphenyl)-2-methyl-3-pyridinyl]amino]but-3-en-2-one

(Z)-3-amino-4-[amino-[5-(3-fluoro-5-morpholin-4-ylphenyl)-2-methyl-3-pyridinyl]amino]but-3-en-2-one (PubChem CID 143628373) has the molecular formula C20H24FN5O2 and a molecular weight of 385.44 g/mol. Its IUPAC name is (Z)-3-amino-4-[amino-[5-(3-fluoro-5-morpholin-4-ylphenyl)-2-methyl-3-pyridinyl]amino]but-3-en-2-one.

Molecular Properties

Compound Name(Z)-3-amino-4-[amino-[5-(3-fluoro-5-morpholin-4-ylphenyl)-2-methyl-3-pyridinyl]amino]but-3-en-2-one
PubChem CID143628373
Molecular FormulaC20H24FN5O2
Molecular Weight385.44 g/mol
Exact Mass385.19
IUPAC Name(Z)-3-amino-4-[amino-[5-(3-fluoro-5-morpholin-4-ylphenyl)-2-methyl-3-pyridinyl]amino]but-3-en-2-one
SMILESCC(=O)/C(N)=C/N(N)c1cc(-c2cc(F)cc(N3CCOCC3)c2)cnc1C
InChIInChI=1S/C20H24FN5O2/c1-13-20(26(23)12-19(22)14(2)27)9-16(11-24-13)15-7-17(21)10-18(8-15)25-3-5-28-6-4-25/h7-12H,3-6,22-23H2,1-2H3/b19-12-
InChIKeyWOKULLBGONXASD-UNOMPAQXSA-N
XLogP2.10
TPSA97.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (Z)-3-amino-4-[amino-[5-(3-fluoro-5-morpholin-4-ylphenyl)-2-methyl-3-pyridinyl]amino]but-3-en-2-one with MolForge

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Launch Full Analysis

Related Compounds

(Z)-3-amino-4-[amino-[5-[3-[difluoro(phosphanyl)methyl]-5-morpholin-4-ylphenyl]-2-methyl-3-pyridinyl]amino]but-3-en-2-one;2,2-dimethylpropane;formamide
CID 143628397
N-[5-[amino-[(Z)-2-amino-3-oxobut-1-enyl]amino]-6-methyl-3-pyridinyl]-3-methyl-5-thiomorpholin-4-ylbenzamide
CID 143628391
1-[5-(3-fluoro-5-morpholin-4-ylanilino)-2-methyl-3-pyridinyl]triazole-4-carboxylic acid
CID 69187079
N-methyl-5-(3-methyl-5-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 170120856
N-[4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-yl]-2-(4-fluorophenyl)acetamide
CID 117077961
N-(1,3-benzodioxol-5-ylmethyl)-4-[5-[4-(3-fluoro-5-morpholin-4-ylphenyl)-4-oxobutyl]-2-methyl-3-pyridinyl]benzamide
CID 143628444
4-[3-fluoro-5-[5-fluoro-2-(3-methoxyphenoxy)pyrimidin-4-yl]phenyl]morpholine;2,2,2-trifluoroacetic acid
CID 117078001
ethane;1-(2-fluoro-6-methyl-4-morpholin-4-ylphenyl)ethanone
CID 177031956
3-fluoro-N-[5-[4-(methoxymethyl)triazol-1-yl]-6-methyl-3-pyridinyl]-5-morpholin-4-ylbenzamide
CID 24937200
N-[6-[cyclohexyl(methyl)amino]-3-pyridinyl]-5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methylpyridine-3-carboxamide
CID 16665377
3-fluoro-N-(1-methyltetrazol-5-yl)-5-morpholin-4-ylbenzamide
CID 154784049
4-(3-fluoro-5-propan-2-ylphenyl)morpholine
CID 58780458

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-4-[amino-[5-(3-fluoro-5-morpholin-4-ylphenyl)-2-methyl-3-pyridinyl]amino]but-3-en-2-one?
The IUPAC name of (Z)-3-amino-4-[amino-[5-(3-fluoro-5-morpholin-4-ylphenyl)-2-methyl-3-pyridinyl]amino]but-3-en-2-one (CID 143628373) is (Z)-3-amino-4-[amino-[5-(3-fluoro-5-morpholin-4-ylphenyl)-2-methyl-3-pyridinyl]amino]but-3-en-2-one.
What is the SMILES notation for (Z)-3-amino-4-[amino-[5-(3-fluoro-5-morpholin-4-ylphenyl)-2-methyl-3-pyridinyl]amino]but-3-en-2-one?
The canonical SMILES for (Z)-3-amino-4-[amino-[5-(3-fluoro-5-morpholin-4-ylphenyl)-2-methyl-3-pyridinyl]amino]but-3-en-2-one is CC(=O)/C(N)=C/N(N)c1cc(-c2cc(F)cc(N3CCOCC3)c2)cnc1C.
What is the InChIKey of (Z)-3-amino-4-[amino-[5-(3-fluoro-5-morpholin-4-ylphenyl)-2-methyl-3-pyridinyl]amino]but-3-en-2-one?
The InChIKey is WOKULLBGONXASD-UNOMPAQXSA-N. The full InChI is InChI=1S/C20H24FN5O2/c1-13-20(26(23)12-19(22)14(2)27)9-16(11-24-13)15-7-17(21)10-18(8-15)25-3-5-28-6-4-25/h7-12H,3-6,22-23H2,1-2H3/b19-12-.
What are the key properties of (Z)-3-amino-4-[amino-[5-(3-fluoro-5-morpholin-4-ylphenyl)-2-methyl-3-pyridinyl]amino]but-3-en-2-one?
(Z)-3-amino-4-[amino-[5-(3-fluoro-5-morpholin-4-ylphenyl)-2-methyl-3-pyridinyl]amino]but-3-en-2-one has a molecular weight of 385.44 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-4-[amino-[5-(3-fluoro-5-morpholin-4-ylphenyl)-2-methyl-3-pyridinyl]amino]but-3-en-2-one is sourced from PubChem (CID 143628373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).