1H-indol-3-yl-[[6-morpholin-4-yl-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]methyl]diazene

C24H31N7O2 — CID 136660451

IUPAC1H-indol-3-yl-[[6-morpholin-4-yl-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]methyl]diazene
SMILESc1ccc2c(/N=N/Cc3cc(N4CCOCC4)nc(OCCN4CCCCC4)n3)c[nH]c2c1
InChIInChI=1S/C24H31N7O2/c1-4-8-30(9-5-1)10-15-33-24-27-19(16-23(28-24)31-11-13-32-14-12-31)17-26-29-22-18-25-21-7-3-2-6-20(21)22/h2-3,6-7,16,18,25H,1,4-5,8-15,17H2/b29-26+
InChIKeyKWALIJXEIUZWTG-PBBVDAKRSA-N
MW449.56 g/mol
LogP3.94
Rot. Bonds8

About 1H-indol-3-yl-[[6-morpholin-4-yl-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]methyl]diazene

1H-indol-3-yl-[[6-morpholin-4-yl-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]methyl]diazene (PubChem CID 136660451) has the molecular formula C24H31N7O2 and a molecular weight of 449.56 g/mol. Its IUPAC name is 1H-indol-3-yl-[[6-morpholin-4-yl-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]methyl]diazene.

Molecular Properties

Compound Name1H-indol-3-yl-[[6-morpholin-4-yl-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]methyl]diazene
PubChem CID136660451
Molecular FormulaC24H31N7O2
Molecular Weight449.56 g/mol
Exact Mass449.25
IUPAC Name1H-indol-3-yl-[[6-morpholin-4-yl-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]methyl]diazene
SMILESc1ccc2c(/N=N/Cc3cc(N4CCOCC4)nc(OCCN4CCCCC4)n3)c[nH]c2c1
InChIInChI=1S/C24H31N7O2/c1-4-8-30(9-5-1)10-15-33-24-27-19(16-23(28-24)31-11-13-32-14-12-31)17-26-29-22-18-25-21-7-3-2-6-20(21)22/h2-3,6-7,16,18,25H,1,4-5,8-15,17H2/b29-26+
InChIKeyKWALIJXEIUZWTG-PBBVDAKRSA-N
XLogP3.94
TPSA91.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 53.94
H-Bond Donors ≤ 51
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

(3,4-dimethylphenyl)-[[6-morpholin-4-yl-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]methyl]diazene
CID 91029551
[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methanamine
CID 58531807
4-[[2-(2-hydroxy-2-methylpropoxy)-6-morpholin-4-ylpyrimidin-4-yl]methyldiazenyl]phenol
CID 136653588
1-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methylimino]-2,3-dihydroinden-4-ol
CID 58234827
6-methyl-N-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methyl]chromen-4-imine
CID 58234816
5-methyl-3-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methylimino]-1H-inden-2-one
CID 58531811
4-[6-(3-methylphenyl)-2-(2-piperidin-1-ylethoxy)quinazolin-4-yl]morpholine
CID 143533307
4-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]methyldiazenyl]phenol
CID 136653620
3-[2-[[6-morpholin-4-yl-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]methylidene]hydrazinyl]benzamide
CID 66682604
2-[2-(3,4-dimethoxyphenyl)ethoxy]-N-[(E)-1H-indol-3-ylmethylideneamino]-6-morpholin-4-ylpyrimidin-4-amine
CID 135443357
4-[2-(1H-indol-4-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine
CID 58137106
6-N-[(E)-1H-indol-3-ylmethylideneamino]-4-N-(2-methoxyethyl)-4-N-methyl-2-(2-morpholin-4-ylethoxy)pyrimidine-4,6-diamine
CID 135530125

Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-yl-[[6-morpholin-4-yl-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]methyl]diazene?
The IUPAC name of 1H-indol-3-yl-[[6-morpholin-4-yl-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]methyl]diazene (CID 136660451) is 1H-indol-3-yl-[[6-morpholin-4-yl-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]methyl]diazene.
What is the SMILES notation for 1H-indol-3-yl-[[6-morpholin-4-yl-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]methyl]diazene?
The canonical SMILES for 1H-indol-3-yl-[[6-morpholin-4-yl-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]methyl]diazene is c1ccc2c(/N=N/Cc3cc(N4CCOCC4)nc(OCCN4CCCCC4)n3)c[nH]c2c1.
What is the InChIKey of 1H-indol-3-yl-[[6-morpholin-4-yl-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]methyl]diazene?
The InChIKey is KWALIJXEIUZWTG-PBBVDAKRSA-N. The full InChI is InChI=1S/C24H31N7O2/c1-4-8-30(9-5-1)10-15-33-24-27-19(16-23(28-24)31-11-13-32-14-12-31)17-26-29-22-18-25-21-7-3-2-6-20(21)22/h2-3,6-7,16,18,25H,1,4-5,8-15,17H2/b29-26+.
What are the key properties of 1H-indol-3-yl-[[6-morpholin-4-yl-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]methyl]diazene?
1H-indol-3-yl-[[6-morpholin-4-yl-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]methyl]diazene has a molecular weight of 449.56 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-3-yl-[[6-morpholin-4-yl-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]methyl]diazene is sourced from PubChem (CID 136660451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).