5-bromo-3-[(3E)-3-[2-(dipropylamino)ethoxyimino]indol-2-yl]-1H-indol-2-ol

C24H27BrN4O2 — CID 136950461

IUPAC5-bromo-3-[(3E)-3-[2-(dipropylamino)ethoxyimino]indol-2-yl]-1H-indol-2-ol
SMILESCCCN(CCC)CCO/N=C1/C(c2c(O)[nH]c3ccc(Br)cc23)=Nc2ccccc21
InChIInChI=1S/C24H27BrN4O2/c1-3-11-29(12-4-2)13-14-31-28-22-17-7-5-6-8-19(17)26-23(22)21-18-15-16(25)9-10-20(18)27-24(21)30/h5-10,15,27,30H,3-4,11-14H2,1-2H3/b28-22+
InChIKeyORNIFEVAANDUJI-XAYXJRQQSA-N
MW483.41 g/mol
LogP5.61
Rot. Bonds9

About 5-bromo-3-[(3E)-3-[2-(dipropylamino)ethoxyimino]indol-2-yl]-1H-indol-2-ol

5-bromo-3-[(3E)-3-[2-(dipropylamino)ethoxyimino]indol-2-yl]-1H-indol-2-ol (PubChem CID 136950461) has the molecular formula C24H27BrN4O2 and a molecular weight of 483.41 g/mol. Its IUPAC name is 5-bromo-3-[(3E)-3-[2-(dipropylamino)ethoxyimino]indol-2-yl]-1H-indol-2-ol.

Molecular Properties

Compound Name5-bromo-3-[(3E)-3-[2-(dipropylamino)ethoxyimino]indol-2-yl]-1H-indol-2-ol
PubChem CID136950461
Molecular FormulaC24H27BrN4O2
Molecular Weight483.41 g/mol
Exact Mass482.13
IUPAC Name5-bromo-3-[(3E)-3-[2-(dipropylamino)ethoxyimino]indol-2-yl]-1H-indol-2-ol
SMILESCCCN(CCC)CCO/N=C1/C(c2c(O)[nH]c3ccc(Br)cc23)=Nc2ccccc21
InChIInChI=1S/C24H27BrN4O2/c1-3-11-29(12-4-2)13-14-31-28-22-17-7-5-6-8-19(17)26-23(22)21-18-15-16(25)9-10-20(18)27-24(21)30/h5-10,15,27,30H,3-4,11-14H2,1-2H3/b28-22+
InChIKeyORNIFEVAANDUJI-XAYXJRQQSA-N
XLogP5.61
TPSA73.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.41
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_imine_A(9)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-bromo-3-[(3E)-3-[2-(dipropylamino)ethoxyimino]indol-2-yl]-1H-indol-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

Related Compounds

Indirubin deriv. 8a
CID 135398521
Indirubin deriv. 9b
CID 135434955
Indirubin deriv. 9a
CID 135434956
Indirubin-3-methoxime
CID 136043836
5-fluoro-3-[(3E)-3-(2-piperazin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol
CID 135779796
(3Z)-3-[(3E)-3-(2,3-dihydroxypropoxyimino)indolin-2-ylidene]indolin-2-one
CID 135510708
Indirubin 2
CID 135580426
Indirubin deriv. 8f
CID 135434961
3-[2-[(E)-[2-(6-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethyl-methylamino]propane-1,2-diol
CID 135897887
6-bromo-3-[(3E)-3-[2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]ethoxyimino]indol-2-yl]-1H-indol-2-ol
CID 135897888
6-bromo-3-[(3E)-3-(2-piperazin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol;dihydrochloride
CID 135897897
3-[2-[(E)-[2-(6-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethyl-methylamino]propane-1,2-diol;hydrochloride
CID 135897900

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(3E)-3-[2-(dipropylamino)ethoxyimino]indol-2-yl]-1H-indol-2-ol?
The IUPAC name of 5-bromo-3-[(3E)-3-[2-(dipropylamino)ethoxyimino]indol-2-yl]-1H-indol-2-ol (CID 136950461) is 5-bromo-3-[(3E)-3-[2-(dipropylamino)ethoxyimino]indol-2-yl]-1H-indol-2-ol.
What is the SMILES notation for 5-bromo-3-[(3E)-3-[2-(dipropylamino)ethoxyimino]indol-2-yl]-1H-indol-2-ol?
The canonical SMILES for 5-bromo-3-[(3E)-3-[2-(dipropylamino)ethoxyimino]indol-2-yl]-1H-indol-2-ol is CCCN(CCC)CCO/N=C1/C(c2c(O)[nH]c3ccc(Br)cc23)=Nc2ccccc21.
What is the InChIKey of 5-bromo-3-[(3E)-3-[2-(dipropylamino)ethoxyimino]indol-2-yl]-1H-indol-2-ol?
The InChIKey is ORNIFEVAANDUJI-XAYXJRQQSA-N. The full InChI is InChI=1S/C24H27BrN4O2/c1-3-11-29(12-4-2)13-14-31-28-22-17-7-5-6-8-19(17)26-23(22)21-18-15-16(25)9-10-20(18)27-24(21)30/h5-10,15,27,30H,3-4,11-14H2,1-2H3/b28-22+.
What are the key properties of 5-bromo-3-[(3E)-3-[2-(dipropylamino)ethoxyimino]indol-2-yl]-1H-indol-2-ol?
5-bromo-3-[(3E)-3-[2-(dipropylamino)ethoxyimino]indol-2-yl]-1H-indol-2-ol has a molecular weight of 483.41 g/mol, XLogP of 5.61, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(3E)-3-[2-(dipropylamino)ethoxyimino]indol-2-yl]-1H-indol-2-ol is sourced from PubChem (CID 136950461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).