5-bromo-3-[3-[2-(2-methylpiperidin-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol

C24H25BrN4O2 — CID 167608108

IUPAC5-bromo-3-[3-[2-(2-methylpiperidin-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol
SMILESCC1CC(CCON=C2C(c3c(O)[nH]c4ccc(Br)cc34)=Nc3ccccc32)CCN1
InChIInChI=1S/C24H25BrN4O2/c1-14-12-15(8-10-26-14)9-11-31-29-22-17-4-2-3-5-19(17)27-23(22)21-18-13-16(25)6-7-20(18)28-24(21)30/h2-7,13-15,26,28,30H,8-12H2,1H3
InChIKeyPRVLVNXGZAZJAX-UHFFFAOYSA-N
MW481.39 g/mol
LogP5.27
Rot. Bonds5

About 5-bromo-3-[3-[2-(2-methylpiperidin-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol

5-bromo-3-[3-[2-(2-methylpiperidin-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol (PubChem CID 167608108) has the molecular formula C24H25BrN4O2 and a molecular weight of 481.39 g/mol. Its IUPAC name is 5-bromo-3-[3-[2-(2-methylpiperidin-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol.

Molecular Properties

Compound Name5-bromo-3-[3-[2-(2-methylpiperidin-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol
PubChem CID167608108
Molecular FormulaC24H25BrN4O2
Molecular Weight481.39 g/mol
Exact Mass480.12
IUPAC Name5-bromo-3-[3-[2-(2-methylpiperidin-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol
SMILESCC1CC(CCON=C2C(c3c(O)[nH]c4ccc(Br)cc34)=Nc3ccccc32)CCN1
InChIInChI=1S/C24H25BrN4O2/c1-14-12-15(8-10-26-14)9-11-31-29-22-17-4-2-3-5-19(17)27-23(22)21-18-13-16(25)6-7-20(18)28-24(21)30/h2-7,13-15,26,28,30H,8-12H2,1H3
InChIKeyPRVLVNXGZAZJAX-UHFFFAOYSA-N
XLogP5.27
TPSA82.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.39
LogP ≤ 55.27
H-Bond Donors ≤ 53
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'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[3-[2-(2-methylpiperidin-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol?
The IUPAC name of 5-bromo-3-[3-[2-(2-methylpiperidin-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol (CID 167608108) is 5-bromo-3-[3-[2-(2-methylpiperidin-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol.
What is the SMILES notation for 5-bromo-3-[3-[2-(2-methylpiperidin-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol?
The canonical SMILES for 5-bromo-3-[3-[2-(2-methylpiperidin-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol is CC1CC(CCON=C2C(c3c(O)[nH]c4ccc(Br)cc34)=Nc3ccccc32)CCN1.
What is the InChIKey of 5-bromo-3-[3-[2-(2-methylpiperidin-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol?
The InChIKey is PRVLVNXGZAZJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25BrN4O2/c1-14-12-15(8-10-26-14)9-11-31-29-22-17-4-2-3-5-19(17)27-23(22)21-18-13-16(25)6-7-20(18)28-24(21)30/h2-7,13-15,26,28,30H,8-12H2,1H3.
What are the key properties of 5-bromo-3-[3-[2-(2-methylpiperidin-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol?
5-bromo-3-[3-[2-(2-methylpiperidin-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol has a molecular weight of 481.39 g/mol, XLogP of 5.27, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[3-[2-(2-methylpiperidin-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol is sourced from PubChem (CID 167608108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).