6-bromo-4-(1-methylpiperidin-4-yl)oxy-1H-indazol-3-amine

C13H17BrN4O — CID 118256128

IUPAC6-bromo-4-(1-methylpiperidin-4-yl)oxy-1H-indazol-3-amine
SMILESCN1CCC(Oc2cc(Br)cc3[nH]nc(N)c23)CC1
InChIInChI=1S/C13H17BrN4O/c1-18-4-2-9(3-5-18)19-11-7-8(14)6-10-12(11)13(15)17-16-10/h6-7,9H,2-5H2,1H3,(H3,15,16,17)
InChIKeyBXTJJSQDUVWYFC-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.38
Rot. Bonds2

About 6-bromo-4-(1-methylpiperidin-4-yl)oxy-1H-indazol-3-amine

6-bromo-4-(1-methylpiperidin-4-yl)oxy-1H-indazol-3-amine (PubChem CID 118256128) has the molecular formula C13H17BrN4O and a molecular weight of 325.21 g/mol. Its IUPAC name is 6-bromo-4-(1-methylpiperidin-4-yl)oxy-1H-indazol-3-amine.

Molecular Properties

Compound Name6-bromo-4-(1-methylpiperidin-4-yl)oxy-1H-indazol-3-amine
PubChem CID118256128
Molecular FormulaC13H17BrN4O
Molecular Weight325.21 g/mol
Exact Mass324.06
IUPAC Name6-bromo-4-(1-methylpiperidin-4-yl)oxy-1H-indazol-3-amine
SMILESCN1CCC(Oc2cc(Br)cc3[nH]nc(N)c23)CC1
InChIInChI=1S/C13H17BrN4O/c1-18-4-2-9(3-5-18)19-11-7-8(14)6-10-12(11)13(15)17-16-10/h6-7,9H,2-5H2,1H3,(H3,15,16,17)
InChIKeyBXTJJSQDUVWYFC-UHFFFAOYSA-N
XLogP2.38
TPSA67.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(1-methylpiperidin-4-yl)oxy-1H-indazol-3-amine?
The IUPAC name of 6-bromo-4-(1-methylpiperidin-4-yl)oxy-1H-indazol-3-amine (CID 118256128) is 6-bromo-4-(1-methylpiperidin-4-yl)oxy-1H-indazol-3-amine.
What is the SMILES notation for 6-bromo-4-(1-methylpiperidin-4-yl)oxy-1H-indazol-3-amine?
The canonical SMILES for 6-bromo-4-(1-methylpiperidin-4-yl)oxy-1H-indazol-3-amine is CN1CCC(Oc2cc(Br)cc3[nH]nc(N)c23)CC1.
What is the InChIKey of 6-bromo-4-(1-methylpiperidin-4-yl)oxy-1H-indazol-3-amine?
The InChIKey is BXTJJSQDUVWYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4O/c1-18-4-2-9(3-5-18)19-11-7-8(14)6-10-12(11)13(15)17-16-10/h6-7,9H,2-5H2,1H3,(H3,15,16,17).
What are the key properties of 6-bromo-4-(1-methylpiperidin-4-yl)oxy-1H-indazol-3-amine?
6-bromo-4-(1-methylpiperidin-4-yl)oxy-1H-indazol-3-amine has a molecular weight of 325.21 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-(1-methylpiperidin-4-yl)oxy-1H-indazol-3-amine is sourced from PubChem (CID 118256128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).