2-(4-aminophenyl)-6-[(3-bromo-2-pyridinyl)oxy]-1-cyclopropylindol-3-amine

C22H19BrN4O — CID 89344741

IUPAC2-(4-aminophenyl)-6-[(3-bromo-2-pyridinyl)oxy]-1-cyclopropylindol-3-amine
SMILESNc1ccc(-c2c(N)c3ccc(Oc4ncccc4Br)cc3n2C2CC2)cc1
InChIInChI=1S/C22H19BrN4O/c23-18-2-1-11-26-22(18)28-16-9-10-17-19(12-16)27(15-7-8-15)21(20(17)25)13-3-5-14(24)6-4-13/h1-6,9-12,15H,7-8,24-25H2
InChIKeyWQRYGNXNXKTGGI-UHFFFAOYSA-N
MW435.33 g/mol
LogP5.76
Rot. Bonds4

About 2-(4-aminophenyl)-6-[(3-bromo-2-pyridinyl)oxy]-1-cyclopropylindol-3-amine

2-(4-aminophenyl)-6-[(3-bromo-2-pyridinyl)oxy]-1-cyclopropylindol-3-amine (PubChem CID 89344741) has the molecular formula C22H19BrN4O and a molecular weight of 435.33 g/mol. Its IUPAC name is 2-(4-aminophenyl)-6-[(3-bromo-2-pyridinyl)oxy]-1-cyclopropylindol-3-amine.

Molecular Properties

Compound Name2-(4-aminophenyl)-6-[(3-bromo-2-pyridinyl)oxy]-1-cyclopropylindol-3-amine
PubChem CID89344741
Molecular FormulaC22H19BrN4O
Molecular Weight435.33 g/mol
Exact Mass434.07
IUPAC Name2-(4-aminophenyl)-6-[(3-bromo-2-pyridinyl)oxy]-1-cyclopropylindol-3-amine
SMILESNc1ccc(-c2c(N)c3ccc(Oc4ncccc4Br)cc3n2C2CC2)cc1
InChIInChI=1S/C22H19BrN4O/c23-18-2-1-11-26-22(18)28-16-9-10-17-19(12-16)27(15-7-8-15)21(20(17)25)13-3-5-14(24)6-4-13/h1-6,9-12,15H,7-8,24-25H2
InChIKeyWQRYGNXNXKTGGI-UHFFFAOYSA-N
XLogP5.76
TPSA79.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.33
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-6-[(3-bromo-2-pyridinyl)oxy]-1-cyclopropylindol-3-amine?
The IUPAC name of 2-(4-aminophenyl)-6-[(3-bromo-2-pyridinyl)oxy]-1-cyclopropylindol-3-amine (CID 89344741) is 2-(4-aminophenyl)-6-[(3-bromo-2-pyridinyl)oxy]-1-cyclopropylindol-3-amine.
What is the SMILES notation for 2-(4-aminophenyl)-6-[(3-bromo-2-pyridinyl)oxy]-1-cyclopropylindol-3-amine?
The canonical SMILES for 2-(4-aminophenyl)-6-[(3-bromo-2-pyridinyl)oxy]-1-cyclopropylindol-3-amine is Nc1ccc(-c2c(N)c3ccc(Oc4ncccc4Br)cc3n2C2CC2)cc1.
What is the InChIKey of 2-(4-aminophenyl)-6-[(3-bromo-2-pyridinyl)oxy]-1-cyclopropylindol-3-amine?
The InChIKey is WQRYGNXNXKTGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN4O/c23-18-2-1-11-26-22(18)28-16-9-10-17-19(12-16)27(15-7-8-15)21(20(17)25)13-3-5-14(24)6-4-13/h1-6,9-12,15H,7-8,24-25H2.
What are the key properties of 2-(4-aminophenyl)-6-[(3-bromo-2-pyridinyl)oxy]-1-cyclopropylindol-3-amine?
2-(4-aminophenyl)-6-[(3-bromo-2-pyridinyl)oxy]-1-cyclopropylindol-3-amine has a molecular weight of 435.33 g/mol, XLogP of 5.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-6-[(3-bromo-2-pyridinyl)oxy]-1-cyclopropylindol-3-amine is sourced from PubChem (CID 89344741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).