5-amino-7-bromo-2-methylindazole-4-carboxamide

C9H9BrN4O — CID 172596610

IUPAC5-amino-7-bromo-2-methylindazole-4-carboxamide
SMILESCn1cc2c(C(N)=O)c(N)cc(Br)c2n1
InChIInChI=1S/C9H9BrN4O/c1-14-3-4-7(9(12)15)6(11)2-5(10)8(4)13-14/h2-3H,11H2,1H3,(H2,12,15)
InChIKeyOMZQKAXDNMLHIV-UHFFFAOYSA-N
MW269.10 g/mol
LogP1.02
Rot. Bonds1

About 5-amino-7-bromo-2-methylindazole-4-carboxamide

5-amino-7-bromo-2-methylindazole-4-carboxamide (PubChem CID 172596610) has the molecular formula C9H9BrN4O and a molecular weight of 269.10 g/mol. Its IUPAC name is 5-amino-7-bromo-2-methylindazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-7-bromo-2-methylindazole-4-carboxamide
PubChem CID172596610
Molecular FormulaC9H9BrN4O
Molecular Weight269.10 g/mol
Exact Mass268.00
IUPAC Name5-amino-7-bromo-2-methylindazole-4-carboxamide
SMILESCn1cc2c(C(N)=O)c(N)cc(Br)c2n1
InChIInChI=1S/C9H9BrN4O/c1-14-3-4-7(9(12)15)6(11)2-5(10)8(4)13-14/h2-3H,11H2,1H3,(H2,12,15)
InChIKeyOMZQKAXDNMLHIV-UHFFFAOYSA-N
XLogP1.02
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-7-bromo-2-methylindazole-4-carboxamide?
The IUPAC name of 5-amino-7-bromo-2-methylindazole-4-carboxamide (CID 172596610) is 5-amino-7-bromo-2-methylindazole-4-carboxamide.
What is the SMILES notation for 5-amino-7-bromo-2-methylindazole-4-carboxamide?
The canonical SMILES for 5-amino-7-bromo-2-methylindazole-4-carboxamide is Cn1cc2c(C(N)=O)c(N)cc(Br)c2n1.
What is the InChIKey of 5-amino-7-bromo-2-methylindazole-4-carboxamide?
The InChIKey is OMZQKAXDNMLHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4O/c1-14-3-4-7(9(12)15)6(11)2-5(10)8(4)13-14/h2-3H,11H2,1H3,(H2,12,15).
What are the key properties of 5-amino-7-bromo-2-methylindazole-4-carboxamide?
5-amino-7-bromo-2-methylindazole-4-carboxamide has a molecular weight of 269.10 g/mol, XLogP of 1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-7-bromo-2-methylindazole-4-carboxamide is sourced from PubChem (CID 172596610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).