[6-[2-(1H-indol-3-yl)ethoxy]-4-morpholin-4-yl-2-pyridinyl]-[(3-methylphenyl)methyl]diazene

C27H29N5O2 — CID 91022452

IUPAC[6-[2-(1H-indol-3-yl)ethoxy]-4-morpholin-4-yl-2-pyridinyl]-[(3-methylphenyl)methyl]diazene
SMILESCc1cccc(C/N=N/c2cc(N3CCOCC3)cc(OCCc3c[nH]c4ccccc34)n2)c1
InChIInChI=1S/C27H29N5O2/c1-20-5-4-6-21(15-20)18-29-31-26-16-23(32-10-13-33-14-11-32)17-27(30-26)34-12-9-22-19-28-25-8-3-2-7-24(22)25/h2-8,15-17,19,28H,9-14,18H2,1H3/b31-29+
InChIKeySJVQZKHGPYTFFM-OWWNRXNESA-N
MW455.56 g/mol
LogP5.61
Rot. Bonds8

About [6-[2-(1H-indol-3-yl)ethoxy]-4-morpholin-4-yl-2-pyridinyl]-[(3-methylphenyl)methyl]diazene

[6-[2-(1H-indol-3-yl)ethoxy]-4-morpholin-4-yl-2-pyridinyl]-[(3-methylphenyl)methyl]diazene (PubChem CID 91022452) has the molecular formula C27H29N5O2 and a molecular weight of 455.56 g/mol. Its IUPAC name is [6-[2-(1H-indol-3-yl)ethoxy]-4-morpholin-4-yl-2-pyridinyl]-[(3-methylphenyl)methyl]diazene.

Molecular Properties

Compound Name[6-[2-(1H-indol-3-yl)ethoxy]-4-morpholin-4-yl-2-pyridinyl]-[(3-methylphenyl)methyl]diazene
PubChem CID91022452
Molecular FormulaC27H29N5O2
Molecular Weight455.56 g/mol
Exact Mass455.23
IUPAC Name[6-[2-(1H-indol-3-yl)ethoxy]-4-morpholin-4-yl-2-pyridinyl]-[(3-methylphenyl)methyl]diazene
SMILESCc1cccc(C/N=N/c2cc(N3CCOCC3)cc(OCCc3c[nH]c4ccccc34)n2)c1
InChIInChI=1S/C27H29N5O2/c1-20-5-4-6-21(15-20)18-29-31-26-16-23(32-10-13-33-14-11-32)17-27(30-26)34-12-9-22-19-28-25-8-3-2-7-24(22)25/h2-8,15-17,19,28H,9-14,18H2,1H3/b31-29+
InChIKeySJVQZKHGPYTFFM-OWWNRXNESA-N
XLogP5.61
TPSA75.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.56
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-methylphenyl)methyl-[4-morpholin-4-yl-6-(2-pyrazin-2-ylethoxy)-2-pyridinyl]diazene
CID 91221280
4-[[6-[(3-methylphenyl)methyldiazenyl]-4-morpholin-4-yl-2-pyridinyl]oxy]butanenitrile
CID 91056793
[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
[4-[2-(2,3-dimethoxyphenyl)ethoxy]-6-morpholin-4-yl-2-pyridinyl]-[(3-methylphenyl)methyl]diazene
CID 91396544
[2-[2-(2,3-dimethoxyphenyl)ethoxy]-6-morpholin-4-yl-4-pyridinyl]-[(3-methylphenyl)methyl]diazene
CID 91383917
(2,6-dimorpholin-4-ylpyrimidin-4-yl)-[(3-methylphenyl)methyl]diazene
CID 91896224
propan-2-yl 3-[[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]diazenyl]methyl]benzoate
CID 91167856
furan-3-ylmethyl-[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]diazene
CID 90828738
N-cyclopropyl-3-[[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]diazenyl]methyl]benzamide
CID 91426337
1H-indol-3-ylmethyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene
CID 123719867
2-[4-[(3-methylphenyl)methyldiazenyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl N-(4-methylphenyl)carbamate
CID 91376685

Frequently Asked Questions

What is the IUPAC name of [6-[2-(1H-indol-3-yl)ethoxy]-4-morpholin-4-yl-2-pyridinyl]-[(3-methylphenyl)methyl]diazene?
The IUPAC name of [6-[2-(1H-indol-3-yl)ethoxy]-4-morpholin-4-yl-2-pyridinyl]-[(3-methylphenyl)methyl]diazene (CID 91022452) is [6-[2-(1H-indol-3-yl)ethoxy]-4-morpholin-4-yl-2-pyridinyl]-[(3-methylphenyl)methyl]diazene.
What is the SMILES notation for [6-[2-(1H-indol-3-yl)ethoxy]-4-morpholin-4-yl-2-pyridinyl]-[(3-methylphenyl)methyl]diazene?
The canonical SMILES for [6-[2-(1H-indol-3-yl)ethoxy]-4-morpholin-4-yl-2-pyridinyl]-[(3-methylphenyl)methyl]diazene is Cc1cccc(C/N=N/c2cc(N3CCOCC3)cc(OCCc3c[nH]c4ccccc34)n2)c1.
What is the InChIKey of [6-[2-(1H-indol-3-yl)ethoxy]-4-morpholin-4-yl-2-pyridinyl]-[(3-methylphenyl)methyl]diazene?
The InChIKey is SJVQZKHGPYTFFM-OWWNRXNESA-N. The full InChI is InChI=1S/C27H29N5O2/c1-20-5-4-6-21(15-20)18-29-31-26-16-23(32-10-13-33-14-11-32)17-27(30-26)34-12-9-22-19-28-25-8-3-2-7-24(22)25/h2-8,15-17,19,28H,9-14,18H2,1H3/b31-29+.
What are the key properties of [6-[2-(1H-indol-3-yl)ethoxy]-4-morpholin-4-yl-2-pyridinyl]-[(3-methylphenyl)methyl]diazene?
[6-[2-(1H-indol-3-yl)ethoxy]-4-morpholin-4-yl-2-pyridinyl]-[(3-methylphenyl)methyl]diazene has a molecular weight of 455.56 g/mol, XLogP of 5.61, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-(1H-indol-3-yl)ethoxy]-4-morpholin-4-yl-2-pyridinyl]-[(3-methylphenyl)methyl]diazene is sourced from PubChem (CID 91022452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).