N-[(2-aminonaphthalen-1-yl)methyl]-6-bromo-1H-indazol-4-amine

C18H15BrN4 — CID 146669481

IUPACN-[(2-aminonaphthalen-1-yl)methyl]-6-bromo-1H-indazol-4-amine
SMILESNc1ccc2ccccc2c1CNc1cc(Br)cc2[nH]ncc12
InChIInChI=1S/C18H15BrN4/c19-12-7-17(15-10-22-23-18(15)8-12)21-9-14-13-4-2-1-3-11(13)5-6-16(14)20/h1-8,10,21H,9,20H2,(H,22,23)
InChIKeyZARONEUMKHIRMX-UHFFFAOYSA-N
MW367.25 g/mol
LogP4.67
Rot. Bonds3

About N-[(2-aminonaphthalen-1-yl)methyl]-6-bromo-1H-indazol-4-amine

N-[(2-aminonaphthalen-1-yl)methyl]-6-bromo-1H-indazol-4-amine (PubChem CID 146669481) has the molecular formula C18H15BrN4 and a molecular weight of 367.25 g/mol. Its IUPAC name is N-[(2-aminonaphthalen-1-yl)methyl]-6-bromo-1H-indazol-4-amine.

Molecular Properties

Compound NameN-[(2-aminonaphthalen-1-yl)methyl]-6-bromo-1H-indazol-4-amine
PubChem CID146669481
Molecular FormulaC18H15BrN4
Molecular Weight367.25 g/mol
Exact Mass366.05
IUPAC NameN-[(2-aminonaphthalen-1-yl)methyl]-6-bromo-1H-indazol-4-amine
SMILESNc1ccc2ccccc2c1CNc1cc(Br)cc2[nH]ncc12
InChIInChI=1S/C18H15BrN4/c19-12-7-17(15-10-22-23-18(15)8-12)21-9-14-13-4-2-1-3-11(13)5-6-16(14)20/h1-8,10,21H,9,20H2,(H,22,23)
InChIKeyZARONEUMKHIRMX-UHFFFAOYSA-N
XLogP4.67
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.25
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(2-aminonaphthalen-1-yl)methyl]-6-bromo-1H-indazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminonaphthalen-1-yl)methyl]-6-bromo-1H-indazol-4-amine?
The IUPAC name of N-[(2-aminonaphthalen-1-yl)methyl]-6-bromo-1H-indazol-4-amine (CID 146669481) is N-[(2-aminonaphthalen-1-yl)methyl]-6-bromo-1H-indazol-4-amine.
What is the SMILES notation for N-[(2-aminonaphthalen-1-yl)methyl]-6-bromo-1H-indazol-4-amine?
The canonical SMILES for N-[(2-aminonaphthalen-1-yl)methyl]-6-bromo-1H-indazol-4-amine is Nc1ccc2ccccc2c1CNc1cc(Br)cc2[nH]ncc12.
What is the InChIKey of N-[(2-aminonaphthalen-1-yl)methyl]-6-bromo-1H-indazol-4-amine?
The InChIKey is ZARONEUMKHIRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN4/c19-12-7-17(15-10-22-23-18(15)8-12)21-9-14-13-4-2-1-3-11(13)5-6-16(14)20/h1-8,10,21H,9,20H2,(H,22,23).
What are the key properties of N-[(2-aminonaphthalen-1-yl)methyl]-6-bromo-1H-indazol-4-amine?
N-[(2-aminonaphthalen-1-yl)methyl]-6-bromo-1H-indazol-4-amine has a molecular weight of 367.25 g/mol, XLogP of 4.67, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminonaphthalen-1-yl)methyl]-6-bromo-1H-indazol-4-amine is sourced from PubChem (CID 146669481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).