5-bromo-6-(2,5-dimethylpyrazol-3-yl)oxy-3-(methylamino)-1,3-dihydroindol-2-one

C14H15BrN4O2 — CID 81332943

IUPAC5-bromo-6-(2,5-dimethylpyrazol-3-yl)oxy-3-(methylamino)-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(Oc3cc(C)nn3C)c(Br)cc21
InChIInChI=1S/C14H15BrN4O2/c1-7-4-12(19(3)18-7)21-11-6-10-8(5-9(11)15)13(16-2)14(20)17-10/h4-6,13,16H,1-3H3,(H,17,20)
InChIKeyOTCHEIAPMVKESC-UHFFFAOYSA-N
MW351.20 g/mol
LogP2.50
Rot. Bonds3

About 5-bromo-6-(2,5-dimethylpyrazol-3-yl)oxy-3-(methylamino)-1,3-dihydroindol-2-one

5-bromo-6-(2,5-dimethylpyrazol-3-yl)oxy-3-(methylamino)-1,3-dihydroindol-2-one (PubChem CID 81332943) has the molecular formula C14H15BrN4O2 and a molecular weight of 351.20 g/mol. Its IUPAC name is 5-bromo-6-(2,5-dimethylpyrazol-3-yl)oxy-3-(methylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-bromo-6-(2,5-dimethylpyrazol-3-yl)oxy-3-(methylamino)-1,3-dihydroindol-2-one
PubChem CID81332943
Molecular FormulaC14H15BrN4O2
Molecular Weight351.20 g/mol
Exact Mass350.04
IUPAC Name5-bromo-6-(2,5-dimethylpyrazol-3-yl)oxy-3-(methylamino)-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(Oc3cc(C)nn3C)c(Br)cc21
InChIInChI=1S/C14H15BrN4O2/c1-7-4-12(19(3)18-7)21-11-6-10-8(5-9(11)15)13(16-2)14(20)17-10/h4-6,13,16H,1-3H3,(H,17,20)
InChIKeyOTCHEIAPMVKESC-UHFFFAOYSA-N
XLogP2.50
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(2,5-dimethylpyrazol-3-yl)oxy-3-(methylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-bromo-6-(2,5-dimethylpyrazol-3-yl)oxy-3-(methylamino)-1,3-dihydroindol-2-one (CID 81332943) is 5-bromo-6-(2,5-dimethylpyrazol-3-yl)oxy-3-(methylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-bromo-6-(2,5-dimethylpyrazol-3-yl)oxy-3-(methylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-bromo-6-(2,5-dimethylpyrazol-3-yl)oxy-3-(methylamino)-1,3-dihydroindol-2-one is CNC1C(=O)Nc2cc(Oc3cc(C)nn3C)c(Br)cc21.
What is the InChIKey of 5-bromo-6-(2,5-dimethylpyrazol-3-yl)oxy-3-(methylamino)-1,3-dihydroindol-2-one?
The InChIKey is OTCHEIAPMVKESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O2/c1-7-4-12(19(3)18-7)21-11-6-10-8(5-9(11)15)13(16-2)14(20)17-10/h4-6,13,16H,1-3H3,(H,17,20).
What are the key properties of 5-bromo-6-(2,5-dimethylpyrazol-3-yl)oxy-3-(methylamino)-1,3-dihydroindol-2-one?
5-bromo-6-(2,5-dimethylpyrazol-3-yl)oxy-3-(methylamino)-1,3-dihydroindol-2-one has a molecular weight of 351.20 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(2,5-dimethylpyrazol-3-yl)oxy-3-(methylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 81332943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).