N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-hydroxy-4-propylanilino)pyridine-2-carbohydrazide

C23H26FN7O3 — CID 58876817

IUPACN'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-hydroxy-4-propylanilino)pyridine-2-carbohydrazide
SMILESCCCc1ccc(Nc2ccc(C(=O)NNc3ncc(F)c(N4CCOCC4)n3)nc2)cc1O
InChIInChI=1S/C23H26FN7O3/c1-2-3-15-4-5-16(12-20(15)32)27-17-6-7-19(25-13-17)22(33)29-30-23-26-14-18(24)21(28-23)31-8-10-34-11-9-31/h4-7,12-14,27,32H,2-3,8-11H2,1H3,(H,29,33)(H,26,28,30)
InChIKeyUUOJKDVEHUSYOA-UHFFFAOYSA-N
MW467.51 g/mol
LogP3.01
Rot. Bonds8

About N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-hydroxy-4-propylanilino)pyridine-2-carbohydrazide

N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-hydroxy-4-propylanilino)pyridine-2-carbohydrazide (PubChem CID 58876817) has the molecular formula C23H26FN7O3 and a molecular weight of 467.51 g/mol. Its IUPAC name is N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-hydroxy-4-propylanilino)pyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-hydroxy-4-propylanilino)pyridine-2-carbohydrazide
PubChem CID58876817
Molecular FormulaC23H26FN7O3
Molecular Weight467.51 g/mol
Exact Mass467.21
IUPAC NameN'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-hydroxy-4-propylanilino)pyridine-2-carbohydrazide
SMILESCCCc1ccc(Nc2ccc(C(=O)NNc3ncc(F)c(N4CCOCC4)n3)nc2)cc1O
InChIInChI=1S/C23H26FN7O3/c1-2-3-15-4-5-16(12-20(15)32)27-17-6-7-19(25-13-17)22(33)29-30-23-26-14-18(24)21(28-23)31-8-10-34-11-9-31/h4-7,12-14,27,32H,2-3,8-11H2,1H3,(H,29,33)(H,26,28,30)
InChIKeyUUOJKDVEHUSYOA-UHFFFAOYSA-N
XLogP3.01
TPSA124.53 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.51
LogP ≤ 53.01
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-hydroxy-4-propylanilino)pyridine-2-carbohydrazide?
The IUPAC name of N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-hydroxy-4-propylanilino)pyridine-2-carbohydrazide (CID 58876817) is N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-hydroxy-4-propylanilino)pyridine-2-carbohydrazide.
What is the SMILES notation for N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-hydroxy-4-propylanilino)pyridine-2-carbohydrazide?
The canonical SMILES for N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-hydroxy-4-propylanilino)pyridine-2-carbohydrazide is CCCc1ccc(Nc2ccc(C(=O)NNc3ncc(F)c(N4CCOCC4)n3)nc2)cc1O.
What is the InChIKey of N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-hydroxy-4-propylanilino)pyridine-2-carbohydrazide?
The InChIKey is UUOJKDVEHUSYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN7O3/c1-2-3-15-4-5-16(12-20(15)32)27-17-6-7-19(25-13-17)22(33)29-30-23-26-14-18(24)21(28-23)31-8-10-34-11-9-31/h4-7,12-14,27,32H,2-3,8-11H2,1H3,(H,29,33)(H,26,28,30).
What are the key properties of N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-hydroxy-4-propylanilino)pyridine-2-carbohydrazide?
N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-hydroxy-4-propylanilino)pyridine-2-carbohydrazide has a molecular weight of 467.51 g/mol, XLogP of 3.01, 8 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-hydroxy-4-propylanilino)pyridine-2-carbohydrazide is sourced from PubChem (CID 58876817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).