1-[5-[3-(dimethylamino)-5-hydroxyanilino]-2-pyridinyl]-2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)iminoethanone

C23H24FN7O3 — CID 71086011

IUPAC1-[5-[3-(dimethylamino)-5-hydroxyanilino]-2-pyridinyl]-2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)iminoethanone
SMILESCN(C)c1cc(O)cc(Nc2ccc(C(=O)C=Nc3ncc(F)c(N4CCOCC4)n3)nc2)c1
InChIInChI=1S/C23H24FN7O3/c1-30(2)17-9-16(10-18(32)11-17)28-15-3-4-20(25-12-15)21(33)14-27-23-26-13-19(24)22(29-23)31-5-7-34-8-6-31/h3-4,9-14,28,32H,5-8H2,1-2H3
InChIKeyAYHBWRLKWQEOJW-UHFFFAOYSA-N
MW465.49 g/mol
LogP2.95
Rot. Bonds7

About 1-[5-[3-(dimethylamino)-5-hydroxyanilino]-2-pyridinyl]-2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)iminoethanone

1-[5-[3-(dimethylamino)-5-hydroxyanilino]-2-pyridinyl]-2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)iminoethanone (PubChem CID 71086011) has the molecular formula C23H24FN7O3 and a molecular weight of 465.49 g/mol. Its IUPAC name is 1-[5-[3-(dimethylamino)-5-hydroxyanilino]-2-pyridinyl]-2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)iminoethanone.

Molecular Properties

Compound Name1-[5-[3-(dimethylamino)-5-hydroxyanilino]-2-pyridinyl]-2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)iminoethanone
PubChem CID71086011
Molecular FormulaC23H24FN7O3
Molecular Weight465.49 g/mol
Exact Mass465.19
IUPAC Name1-[5-[3-(dimethylamino)-5-hydroxyanilino]-2-pyridinyl]-2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)iminoethanone
SMILESCN(C)c1cc(O)cc(Nc2ccc(C(=O)C=Nc3ncc(F)c(N4CCOCC4)n3)nc2)c1
InChIInChI=1S/C23H24FN7O3/c1-30(2)17-9-16(10-18(32)11-17)28-15-3-4-20(25-12-15)21(33)14-27-23-26-13-19(24)22(29-23)31-5-7-34-8-6-31/h3-4,9-14,28,32H,5-8H2,1-2H3
InChIKeyAYHBWRLKWQEOJW-UHFFFAOYSA-N
XLogP2.95
TPSA116.07 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.49
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

5-[4-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide
CID 58877083
3-[[6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-3-pyridinyl]amino]-5-(4-methylimidazol-1-yl)phenol
CID 123294971
6-[5-[3-(dimethylamino)-5-(trifluoromethyl)anilino]-2-pyridinyl]-2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridazin-3-one
CID 25074201
1-N-[6-[6-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyrazin-2-yl]-3-pyridinyl]-3-N,3-N-dimethyl-5-(trifluoromethyl)benzene-1,3-diamine
CID 25070126
N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(3-hydroxyphenyl)anilino]pyridine-2-carbohydrazide
CID 58876710
5-[3-(dimethylamino)-5-methoxyanilino]pyridine-2-carbaldehyde;(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazine;1-N-[6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]-5-methoxy-3-N,3-N-dimethylbenzene-1,3-diamine
CID 172965552
5-[3-chloro-5-[(3-hydroxyanilino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide
CID 170125496
1-[3-chloro-5-[[6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-3-pyridinyl]amino]phenyl]ethanone
CID 91387785
3-[[6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-3-pyridinyl]amino]-5-(4-methylpyrazolidin-1-yl)phenol
CID 91090424
5-[3-chloro-5-[(3E,5Z)-octa-3,5,7-trien-4-yl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide
CID 143471143
3-[3-[[6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-3-pyridinyl]amino]-5-methylphenyl]phenol
CID 91124593
N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(4-pyrimidin-2-ylanilino)pyridine-2-carbohydrazide
CID 58876798

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-(dimethylamino)-5-hydroxyanilino]-2-pyridinyl]-2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)iminoethanone?
The IUPAC name of 1-[5-[3-(dimethylamino)-5-hydroxyanilino]-2-pyridinyl]-2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)iminoethanone (CID 71086011) is 1-[5-[3-(dimethylamino)-5-hydroxyanilino]-2-pyridinyl]-2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)iminoethanone.
What is the SMILES notation for 1-[5-[3-(dimethylamino)-5-hydroxyanilino]-2-pyridinyl]-2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)iminoethanone?
The canonical SMILES for 1-[5-[3-(dimethylamino)-5-hydroxyanilino]-2-pyridinyl]-2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)iminoethanone is CN(C)c1cc(O)cc(Nc2ccc(C(=O)C=Nc3ncc(F)c(N4CCOCC4)n3)nc2)c1.
What is the InChIKey of 1-[5-[3-(dimethylamino)-5-hydroxyanilino]-2-pyridinyl]-2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)iminoethanone?
The InChIKey is AYHBWRLKWQEOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN7O3/c1-30(2)17-9-16(10-18(32)11-17)28-15-3-4-20(25-12-15)21(33)14-27-23-26-13-19(24)22(29-23)31-5-7-34-8-6-31/h3-4,9-14,28,32H,5-8H2,1-2H3.
What are the key properties of 1-[5-[3-(dimethylamino)-5-hydroxyanilino]-2-pyridinyl]-2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)iminoethanone?
1-[5-[3-(dimethylamino)-5-hydroxyanilino]-2-pyridinyl]-2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)iminoethanone has a molecular weight of 465.49 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-(dimethylamino)-5-hydroxyanilino]-2-pyridinyl]-2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)iminoethanone is sourced from PubChem (CID 71086011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).