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

C22H31N5O4 — CID 91613854

IUPAC(4,5-dimethylfuran-2-yl)-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methyl]diazene
SMILESCc1cc(/N=N/Cc2cc(N3CCOCC3)cc(OCCN3CCOCC3)n2)oc1C
InChIInChI=1S/C22H31N5O4/c1-17-13-22(31-18(17)2)25-23-16-19-14-20(27-6-10-29-11-7-27)15-21(24-19)30-12-5-26-3-8-28-9-4-26/h13-15H,3-12,16H2,1-2H3/b25-23+
InChIKeyPLKSVKAVZBQHPI-WJTDDFOZSA-N
MW429.52 g/mol
LogP3.12
Rot. Bonds8

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

(4,5-dimethylfuran-2-yl)-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methyl]diazene (PubChem CID 91613854) has the molecular formula C22H31N5O4 and a molecular weight of 429.52 g/mol. Its IUPAC name is (4,5-dimethylfuran-2-yl)-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methyl]diazene.

Molecular Properties

Compound Name(4,5-dimethylfuran-2-yl)-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methyl]diazene
PubChem CID91613854
Molecular FormulaC22H31N5O4
Molecular Weight429.52 g/mol
Exact Mass429.24
IUPAC Name(4,5-dimethylfuran-2-yl)-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methyl]diazene
SMILESCc1cc(/N=N/Cc2cc(N3CCOCC3)cc(OCCN3CCOCC3)n2)oc1C
InChIInChI=1S/C22H31N5O4/c1-17-13-22(31-18(17)2)25-23-16-19-14-20(27-6-10-29-11-7-27)15-21(24-19)30-12-5-26-3-8-28-9-4-26/h13-15H,3-12,16H2,1-2H3/b25-23+
InChIKeyPLKSVKAVZBQHPI-WJTDDFOZSA-N
XLogP3.12
TPSA84.92 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze (4,5-dimethylfuran-2-yl)-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methyl]diazene with MolForge

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Launch Full Analysis

Related Compounds

(3,4-dimethylphenyl)methyl-[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]diazene
CID 90855310
N-methyl-3-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methyliminomethyl]aniline
CID 58060175
N-methyl-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine
CID 143049464
furan-3-ylmethyl-[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]diazene
CID 90828738
N-[(E)-(4,5-dimethyl-2-pyridinyl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine
CID 59673923
3,4-dimethyl-N-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylideneamino]aniline
CID 66648014
(3,4-dimethylphenyl)-[[6-morpholin-4-yl-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]methyl]diazene
CID 91029551
2-[[6-[[(2,3-dimethyl-1H-indol-5-yl)diazenyl]methyl]-4-morpholin-4-yl-2-pyridinyl]oxy]-N-methylethanamine
CID 90727053
propan-2-yl 3-[[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]diazenyl]methyl]benzoate
CID 91167856
4-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]methyldiazenyl]phenol
CID 136653620
[6-[2-(4-ethyl-3-methylidenepiperazin-1-yl)ethoxy]-4-morpholin-4-yl-2-pyridinyl]-[(3-methylphenyl)methyl]diazene
CID 91248171
N-[(E)-(2-amino-5-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine
CID 11328144

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethylfuran-2-yl)-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methyl]diazene?
The IUPAC name of (4,5-dimethylfuran-2-yl)-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methyl]diazene (CID 91613854) is (4,5-dimethylfuran-2-yl)-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methyl]diazene.
What is the SMILES notation for (4,5-dimethylfuran-2-yl)-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methyl]diazene?
The canonical SMILES for (4,5-dimethylfuran-2-yl)-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methyl]diazene is Cc1cc(/N=N/Cc2cc(N3CCOCC3)cc(OCCN3CCOCC3)n2)oc1C.
What is the InChIKey of (4,5-dimethylfuran-2-yl)-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methyl]diazene?
The InChIKey is PLKSVKAVZBQHPI-WJTDDFOZSA-N. The full InChI is InChI=1S/C22H31N5O4/c1-17-13-22(31-18(17)2)25-23-16-19-14-20(27-6-10-29-11-7-27)15-21(24-19)30-12-5-26-3-8-28-9-4-26/h13-15H,3-12,16H2,1-2H3/b25-23+.
What are the key properties of (4,5-dimethylfuran-2-yl)-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methyl]diazene?
(4,5-dimethylfuran-2-yl)-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methyl]diazene has a molecular weight of 429.52 g/mol, XLogP of 3.12, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethylfuran-2-yl)-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methyl]diazene is sourced from PubChem (CID 91613854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).