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

C26H23ClFN7O3 — CID 58876918

IUPAC4-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(3-hydroxyphenyl)anilino]pyridine-2-carbohydrazide
SMILESO=C(NNc1ncc(F)c(N2CCOCC2)n1)c1cc(Cl)c(Nc2ccc(-c3cccc(O)c3)cc2)cn1
InChIInChI=1S/C26H23ClFN7O3/c27-20-13-22(25(37)33-34-26-30-14-21(28)24(32-26)35-8-10-38-11-9-35)29-15-23(20)31-18-6-4-16(5-7-18)17-2-1-3-19(36)12-17/h1-7,12-15,31,36H,8-11H2,(H,33,37)(H,30,32,34)
InChIKeyYFXQMFSTULWYME-UHFFFAOYSA-N
MW535.97 g/mol
LogP4.37
Rot. Bonds7

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

4-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(3-hydroxyphenyl)anilino]pyridine-2-carbohydrazide (PubChem CID 58876918) has the molecular formula C26H23ClFN7O3 and a molecular weight of 535.97 g/mol. Its IUPAC name is 4-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(3-hydroxyphenyl)anilino]pyridine-2-carbohydrazide.

Molecular Properties

Compound Name4-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(3-hydroxyphenyl)anilino]pyridine-2-carbohydrazide
PubChem CID58876918
Molecular FormulaC26H23ClFN7O3
Molecular Weight535.97 g/mol
Exact Mass535.15
IUPAC Name4-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(3-hydroxyphenyl)anilino]pyridine-2-carbohydrazide
SMILESO=C(NNc1ncc(F)c(N2CCOCC2)n1)c1cc(Cl)c(Nc2ccc(-c3cccc(O)c3)cc2)cn1
InChIInChI=1S/C26H23ClFN7O3/c27-20-13-22(25(37)33-34-26-30-14-21(28)24(32-26)35-8-10-38-11-9-35)29-15-23(20)31-18-6-4-16(5-7-18)17-2-1-3-19(36)12-17/h1-7,12-15,31,36H,8-11H2,(H,33,37)(H,30,32,34)
InChIKeyYFXQMFSTULWYME-UHFFFAOYSA-N
XLogP4.37
TPSA124.53 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.97
LogP ≤ 54.37
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 4-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(3-hydroxyphenyl)anilino]pyridine-2-carbohydrazide?
The IUPAC name of 4-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(3-hydroxyphenyl)anilino]pyridine-2-carbohydrazide (CID 58876918) is 4-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(3-hydroxyphenyl)anilino]pyridine-2-carbohydrazide.
What is the SMILES notation for 4-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(3-hydroxyphenyl)anilino]pyridine-2-carbohydrazide?
The canonical SMILES for 4-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(3-hydroxyphenyl)anilino]pyridine-2-carbohydrazide is O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1cc(Cl)c(Nc2ccc(-c3cccc(O)c3)cc2)cn1.
What is the InChIKey of 4-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(3-hydroxyphenyl)anilino]pyridine-2-carbohydrazide?
The InChIKey is YFXQMFSTULWYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClFN7O3/c27-20-13-22(25(37)33-34-26-30-14-21(28)24(32-26)35-8-10-38-11-9-35)29-15-23(20)31-18-6-4-16(5-7-18)17-2-1-3-19(36)12-17/h1-7,12-15,31,36H,8-11H2,(H,33,37)(H,30,32,34).
What are the key properties of 4-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(3-hydroxyphenyl)anilino]pyridine-2-carbohydrazide?
4-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(3-hydroxyphenyl)anilino]pyridine-2-carbohydrazide has a molecular weight of 535.97 g/mol, XLogP of 4.37, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(3-hydroxyphenyl)anilino]pyridine-2-carbohydrazide is sourced from PubChem (CID 58876918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).