5-amino-3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxybenzohydrazide

C15H16ClFN6O3 — CID 143430844

IUPAC5-amino-3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxybenzohydrazide
SMILESNc1cc(Cl)c(O)c(C(=O)NNc2ncc(F)c(N3CCOCC3)n2)c1
InChIInChI=1S/C15H16ClFN6O3/c16-10-6-8(18)5-9(12(10)24)14(25)21-22-15-19-7-11(17)13(20-15)23-1-3-26-4-2-23/h5-7,24H,1-4,18H2,(H,21,25)(H,19,20,22)
InChIKeyDGFSLHHWFPMCPZ-UHFFFAOYSA-N
MW382.78 g/mol
LogP1.15
Rot. Bonds4

About 5-amino-3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxybenzohydrazide

5-amino-3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxybenzohydrazide (PubChem CID 143430844) has the molecular formula C15H16ClFN6O3 and a molecular weight of 382.78 g/mol. Its IUPAC name is 5-amino-3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxybenzohydrazide.

Molecular Properties

Compound Name5-amino-3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxybenzohydrazide
PubChem CID143430844
Molecular FormulaC15H16ClFN6O3
Molecular Weight382.78 g/mol
Exact Mass382.10
IUPAC Name5-amino-3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxybenzohydrazide
SMILESNc1cc(Cl)c(O)c(C(=O)NNc2ncc(F)c(N3CCOCC3)n2)c1
InChIInChI=1S/C15H16ClFN6O3/c16-10-6-8(18)5-9(12(10)24)14(25)21-22-15-19-7-11(17)13(20-15)23-1-3-26-4-2-23/h5-7,24H,1-4,18H2,(H,21,25)(H,19,20,22)
InChIKeyDGFSLHHWFPMCPZ-UHFFFAOYSA-N
XLogP1.15
TPSA125.63 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.78
LogP ≤ 51.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 5-amino-3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxybenzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxybenzohydrazide?
The IUPAC name of 5-amino-3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxybenzohydrazide (CID 143430844) is 5-amino-3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxybenzohydrazide.
What is the SMILES notation for 5-amino-3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxybenzohydrazide?
The canonical SMILES for 5-amino-3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxybenzohydrazide is Nc1cc(Cl)c(O)c(C(=O)NNc2ncc(F)c(N3CCOCC3)n2)c1.
What is the InChIKey of 5-amino-3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxybenzohydrazide?
The InChIKey is DGFSLHHWFPMCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN6O3/c16-10-6-8(18)5-9(12(10)24)14(25)21-22-15-19-7-11(17)13(20-15)23-1-3-26-4-2-23/h5-7,24H,1-4,18H2,(H,21,25)(H,19,20,22).
What are the key properties of 5-amino-3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxybenzohydrazide?
5-amino-3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxybenzohydrazide has a molecular weight of 382.78 g/mol, XLogP of 1.15, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxybenzohydrazide is sourced from PubChem (CID 143430844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).