3-amino-5-bromo-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one

C12H11BrN4O2 — CID 81341857

IUPAC3-amino-5-bromo-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one
SMILESCc1cc(Oc2cc3c(cc2Br)C(N)C(=O)N3)n[nH]1
InChIInChI=1S/C12H11BrN4O2/c1-5-2-10(17-16-5)19-9-4-8-6(3-7(9)13)11(14)12(18)15-8/h2-4,11H,14H2,1H3,(H,15,18)(H,16,17)
InChIKeyCAGDYKKXQTXQLW-UHFFFAOYSA-N
MW323.15 g/mol
LogP2.22
Rot. Bonds2

About 3-amino-5-bromo-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one

3-amino-5-bromo-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one (PubChem CID 81341857) has the molecular formula C12H11BrN4O2 and a molecular weight of 323.15 g/mol. Its IUPAC name is 3-amino-5-bromo-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-5-bromo-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one
PubChem CID81341857
Molecular FormulaC12H11BrN4O2
Molecular Weight323.15 g/mol
Exact Mass322.01
IUPAC Name3-amino-5-bromo-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one
SMILESCc1cc(Oc2cc3c(cc2Br)C(N)C(=O)N3)n[nH]1
InChIInChI=1S/C12H11BrN4O2/c1-5-2-10(17-16-5)19-9-4-8-6(3-7(9)13)11(14)12(18)15-8/h2-4,11H,14H2,1H3,(H,15,18)(H,16,17)
InChIKeyCAGDYKKXQTXQLW-UHFFFAOYSA-N
XLogP2.22
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.15
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-5-bromo-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one (CID 81341857) is 3-amino-5-bromo-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-5-bromo-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-5-bromo-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one is Cc1cc(Oc2cc3c(cc2Br)C(N)C(=O)N3)n[nH]1.
What is the InChIKey of 3-amino-5-bromo-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one?
The InChIKey is CAGDYKKXQTXQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4O2/c1-5-2-10(17-16-5)19-9-4-8-6(3-7(9)13)11(14)12(18)15-8/h2-4,11H,14H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 3-amino-5-bromo-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one?
3-amino-5-bromo-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one has a molecular weight of 323.15 g/mol, XLogP of 2.22, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one is sourced from PubChem (CID 81341857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).