1-[[3,5-difluoro-4-morpholin-4-yl-6-[(2E)-2-(naphthalen-2-ylmethylidene)hydrazinyl]-2-pyridinyl]oxy]-2-methylpropan-2-ol

C24H26F2N4O3 — CID 59673917

IUPAC1-[[3,5-difluoro-4-morpholin-4-yl-6-[(2E)-2-(naphthalen-2-ylmethylidene)hydrazinyl]-2-pyridinyl]oxy]-2-methylpropan-2-ol
SMILESCC(C)(O)COc1nc(N/N=C/c2ccc3ccccc3c2)c(F)c(N2CCOCC2)c1F
InChIInChI=1S/C24H26F2N4O3/c1-24(2,31)15-33-23-20(26)21(30-9-11-32-12-10-30)19(25)22(28-23)29-27-14-16-7-8-17-5-3-4-6-18(17)13-16/h3-8,13-14,31H,9-12,15H2,1-2H3,(H,28,29)/b27-14+
InChIKeyOWAAYYRWAYTSCW-MZJWZYIUSA-N
MW456.49 g/mol
LogP3.95
Rot. Bonds7

About 1-[[3,5-difluoro-4-morpholin-4-yl-6-[(2E)-2-(naphthalen-2-ylmethylidene)hydrazinyl]-2-pyridinyl]oxy]-2-methylpropan-2-ol

1-[[3,5-difluoro-4-morpholin-4-yl-6-[(2E)-2-(naphthalen-2-ylmethylidene)hydrazinyl]-2-pyridinyl]oxy]-2-methylpropan-2-ol (PubChem CID 59673917) has the molecular formula C24H26F2N4O3 and a molecular weight of 456.49 g/mol. Its IUPAC name is 1-[[3,5-difluoro-4-morpholin-4-yl-6-[(2E)-2-(naphthalen-2-ylmethylidene)hydrazinyl]-2-pyridinyl]oxy]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[3,5-difluoro-4-morpholin-4-yl-6-[(2E)-2-(naphthalen-2-ylmethylidene)hydrazinyl]-2-pyridinyl]oxy]-2-methylpropan-2-ol
PubChem CID59673917
Molecular FormulaC24H26F2N4O3
Molecular Weight456.49 g/mol
Exact Mass456.20
IUPAC Name1-[[3,5-difluoro-4-morpholin-4-yl-6-[(2E)-2-(naphthalen-2-ylmethylidene)hydrazinyl]-2-pyridinyl]oxy]-2-methylpropan-2-ol
SMILESCC(C)(O)COc1nc(N/N=C/c2ccc3ccccc3c2)c(F)c(N2CCOCC2)c1F
InChIInChI=1S/C24H26F2N4O3/c1-24(2,31)15-33-23-20(26)21(30-9-11-32-12-10-30)19(25)22(28-23)29-27-14-16-7-8-17-5-3-4-6-18(17)13-16/h3-8,13-14,31H,9-12,15H2,1-2H3,(H,28,29)/b27-14+
InChIKeyOWAAYYRWAYTSCW-MZJWZYIUSA-N
XLogP3.95
TPSA79.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.49
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_naphth_A(5)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[[3,5-difluoro-4-morpholin-4-yl-6-[(2E)-2-(naphthalen-2-ylmethylidene)hydrazinyl]-2-pyridinyl]oxy]-2-methylpropan-2-ol 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 1-[[3,5-difluoro-4-morpholin-4-yl-6-[(2E)-2-(naphthalen-2-ylmethylidene)hydrazinyl]-2-pyridinyl]oxy]-2-methylpropan-2-ol?
The IUPAC name of 1-[[3,5-difluoro-4-morpholin-4-yl-6-[(2E)-2-(naphthalen-2-ylmethylidene)hydrazinyl]-2-pyridinyl]oxy]-2-methylpropan-2-ol (CID 59673917) is 1-[[3,5-difluoro-4-morpholin-4-yl-6-[(2E)-2-(naphthalen-2-ylmethylidene)hydrazinyl]-2-pyridinyl]oxy]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[3,5-difluoro-4-morpholin-4-yl-6-[(2E)-2-(naphthalen-2-ylmethylidene)hydrazinyl]-2-pyridinyl]oxy]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[3,5-difluoro-4-morpholin-4-yl-6-[(2E)-2-(naphthalen-2-ylmethylidene)hydrazinyl]-2-pyridinyl]oxy]-2-methylpropan-2-ol is CC(C)(O)COc1nc(N/N=C/c2ccc3ccccc3c2)c(F)c(N2CCOCC2)c1F.
What is the InChIKey of 1-[[3,5-difluoro-4-morpholin-4-yl-6-[(2E)-2-(naphthalen-2-ylmethylidene)hydrazinyl]-2-pyridinyl]oxy]-2-methylpropan-2-ol?
The InChIKey is OWAAYYRWAYTSCW-MZJWZYIUSA-N. The full InChI is InChI=1S/C24H26F2N4O3/c1-24(2,31)15-33-23-20(26)21(30-9-11-32-12-10-30)19(25)22(28-23)29-27-14-16-7-8-17-5-3-4-6-18(17)13-16/h3-8,13-14,31H,9-12,15H2,1-2H3,(H,28,29)/b27-14+.
What are the key properties of 1-[[3,5-difluoro-4-morpholin-4-yl-6-[(2E)-2-(naphthalen-2-ylmethylidene)hydrazinyl]-2-pyridinyl]oxy]-2-methylpropan-2-ol?
1-[[3,5-difluoro-4-morpholin-4-yl-6-[(2E)-2-(naphthalen-2-ylmethylidene)hydrazinyl]-2-pyridinyl]oxy]-2-methylpropan-2-ol has a molecular weight of 456.49 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3,5-difluoro-4-morpholin-4-yl-6-[(2E)-2-(naphthalen-2-ylmethylidene)hydrazinyl]-2-pyridinyl]oxy]-2-methylpropan-2-ol is sourced from PubChem (CID 59673917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).