N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-hydroxyphenyl)anilino]pyridine-2-carbohydrazide

C26H24FN7O3 — CID 58877078

IUPACN'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-hydroxyphenyl)anilino]pyridine-2-carbohydrazide
SMILESO=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2cccc(-c3cccc(O)c3)c2)cn1
InChIInChI=1S/C26H24FN7O3/c27-22-16-29-26(31-24(22)34-9-11-37-12-10-34)33-32-25(36)23-8-7-20(15-28-23)30-19-5-1-3-17(13-19)18-4-2-6-21(35)14-18/h1-8,13-16,30,35H,9-12H2,(H,32,36)(H,29,31,33)
InChIKeyMFWTYSRTRNIIJT-UHFFFAOYSA-N
MW501.52 g/mol
LogP3.72
Rot. Bonds7

About N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-hydroxyphenyl)anilino]pyridine-2-carbohydrazide

N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-hydroxyphenyl)anilino]pyridine-2-carbohydrazide (PubChem CID 58877078) has the molecular formula C26H24FN7O3 and a molecular weight of 501.52 g/mol. Its IUPAC name is N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-hydroxyphenyl)anilino]pyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-hydroxyphenyl)anilino]pyridine-2-carbohydrazide
PubChem CID58877078
Molecular FormulaC26H24FN7O3
Molecular Weight501.52 g/mol
Exact Mass501.19
IUPAC NameN'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-hydroxyphenyl)anilino]pyridine-2-carbohydrazide
SMILESO=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2cccc(-c3cccc(O)c3)c2)cn1
InChIInChI=1S/C26H24FN7O3/c27-22-16-29-26(31-24(22)34-9-11-37-12-10-34)33-32-25(36)23-8-7-20(15-28-23)30-19-5-1-3-17(13-19)18-4-2-6-21(35)14-18/h1-8,13-16,30,35H,9-12H2,(H,32,36)(H,29,31,33)
InChIKeyMFWTYSRTRNIIJT-UHFFFAOYSA-N
XLogP3.72
TPSA124.53 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.52
LogP ≤ 53.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-hydroxyphenyl)anilino]pyridine-2-carbohydrazide?
The IUPAC name of N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-hydroxyphenyl)anilino]pyridine-2-carbohydrazide (CID 58877078) is N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-hydroxyphenyl)anilino]pyridine-2-carbohydrazide.
What is the SMILES notation for N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-hydroxyphenyl)anilino]pyridine-2-carbohydrazide?
The canonical SMILES for N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-hydroxyphenyl)anilino]pyridine-2-carbohydrazide is O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2cccc(-c3cccc(O)c3)c2)cn1.
What is the InChIKey of N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-hydroxyphenyl)anilino]pyridine-2-carbohydrazide?
The InChIKey is MFWTYSRTRNIIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN7O3/c27-22-16-29-26(31-24(22)34-9-11-37-12-10-34)33-32-25(36)23-8-7-20(15-28-23)30-19-5-1-3-17(13-19)18-4-2-6-21(35)14-18/h1-8,13-16,30,35H,9-12H2,(H,32,36)(H,29,31,33).
What are the key properties of N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-hydroxyphenyl)anilino]pyridine-2-carbohydrazide?
N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-hydroxyphenyl)anilino]pyridine-2-carbohydrazide has a molecular weight of 501.52 g/mol, XLogP of 3.72, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-hydroxyphenyl)anilino]pyridine-2-carbohydrazide is sourced from PubChem (CID 58877078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).