[3,5-difluoro-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]-[(3-methylphenyl)methyl]diazene

C23H29F2N5O3 — CID 91388459

IUPAC[3,5-difluoro-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]-[(3-methylphenyl)methyl]diazene
SMILESCc1cccc(C/N=N/c2nc(OCCN3CCOCC3)c(F)c(N3CCOCC3)c2F)c1
InChIInChI=1S/C23H29F2N5O3/c1-17-3-2-4-18(15-17)16-26-28-22-19(24)21(30-8-12-32-13-9-30)20(25)23(27-22)33-14-7-29-5-10-31-11-6-29/h2-4,15H,5-14,16H2,1H3/b28-26+
InChIKeyYITODOSEYDKNAD-BYCLXTJYSA-N
MW461.51 g/mol
LogP3.50
Rot. Bonds8

About [3,5-difluoro-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]-[(3-methylphenyl)methyl]diazene

[3,5-difluoro-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]-[(3-methylphenyl)methyl]diazene (PubChem CID 91388459) has the molecular formula C23H29F2N5O3 and a molecular weight of 461.51 g/mol. Its IUPAC name is [3,5-difluoro-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]-[(3-methylphenyl)methyl]diazene.

Molecular Properties

Compound Name[3,5-difluoro-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]-[(3-methylphenyl)methyl]diazene
PubChem CID91388459
Molecular FormulaC23H29F2N5O3
Molecular Weight461.51 g/mol
Exact Mass461.22
IUPAC Name[3,5-difluoro-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]-[(3-methylphenyl)methyl]diazene
SMILESCc1cccc(C/N=N/c2nc(OCCN3CCOCC3)c(F)c(N3CCOCC3)c2F)c1
InChIInChI=1S/C23H29F2N5O3/c1-17-3-2-4-18(15-17)16-26-28-22-19(24)21(30-8-12-32-13-9-30)20(25)23(27-22)33-14-7-29-5-10-31-11-6-29/h2-4,15H,5-14,16H2,1H3/b28-26+
InChIKeyYITODOSEYDKNAD-BYCLXTJYSA-N
XLogP3.50
TPSA71.78 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.51
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-4-[(3-methylphenyl)methyldiazenyl]-6-(2-morpholin-4-ylethoxy)-1,3,5-triazin-2-amine
CID 91298050
(2,6-dimorpholin-4-ylpyrimidin-4-yl)-[(3-methylphenyl)methyl]diazene
CID 91896224
[6-[2-(4-ethyl-3-methylidenepiperazin-1-yl)ethoxy]-4-morpholin-4-yl-2-pyridinyl]-[(3-methylphenyl)methyl]diazene
CID 91248171
(3,4-dimethylphenyl)methyl-[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]diazene
CID 90855310
ethane;4-[2-(3-methylphenoxy)ethyl]morpholine
CID 143019407
4-[[6-[(3-methylphenyl)methyldiazenyl]-4-morpholin-4-yl-2-pyridinyl]oxy]butanenitrile
CID 91056793
5-fluoro-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine
CID 143049314
(3-methylphenyl)methyl-[4-morpholin-4-yl-6-(2-pyrazin-2-ylethoxy)-2-pyridinyl]diazene
CID 91221280
3-[4-[(3-methylphenyl)methyldiazenyl]-6-morpholin-4-yl-2-pyridinyl]propan-1-ol
CID 91061886
2-[4-[(3-methylphenyl)methyldiazenyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl N-(4-methylphenyl)carbamate
CID 91376685
4-[2-[[6-(3-methylphenyl)-2-pyridinyl]oxy]ethyl]morpholine
CID 91484041
propan-2-yl 3-[[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]diazenyl]methyl]benzoate
CID 91167856

Frequently Asked Questions

What is the IUPAC name of [3,5-difluoro-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]-[(3-methylphenyl)methyl]diazene?
The IUPAC name of [3,5-difluoro-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]-[(3-methylphenyl)methyl]diazene (CID 91388459) is [3,5-difluoro-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]-[(3-methylphenyl)methyl]diazene.
What is the SMILES notation for [3,5-difluoro-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]-[(3-methylphenyl)methyl]diazene?
The canonical SMILES for [3,5-difluoro-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]-[(3-methylphenyl)methyl]diazene is Cc1cccc(C/N=N/c2nc(OCCN3CCOCC3)c(F)c(N3CCOCC3)c2F)c1.
What is the InChIKey of [3,5-difluoro-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]-[(3-methylphenyl)methyl]diazene?
The InChIKey is YITODOSEYDKNAD-BYCLXTJYSA-N. The full InChI is InChI=1S/C23H29F2N5O3/c1-17-3-2-4-18(15-17)16-26-28-22-19(24)21(30-8-12-32-13-9-30)20(25)23(27-22)33-14-7-29-5-10-31-11-6-29/h2-4,15H,5-14,16H2,1H3/b28-26+.
What are the key properties of [3,5-difluoro-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]-[(3-methylphenyl)methyl]diazene?
[3,5-difluoro-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]-[(3-methylphenyl)methyl]diazene has a molecular weight of 461.51 g/mol, XLogP of 3.50, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-difluoro-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]-[(3-methylphenyl)methyl]diazene is sourced from PubChem (CID 91388459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).