3-amino-5-bromo-6-(1,3,5-trimethylpyrazol-4-yl)oxy-1,3-dihydroindol-2-one

C14H15BrN4O2 — CID 79343756

IUPAC3-amino-5-bromo-6-(1,3,5-trimethylpyrazol-4-yl)oxy-1,3-dihydroindol-2-one
SMILESCc1nn(C)c(C)c1Oc1cc2c(cc1Br)C(N)C(=O)N2
InChIInChI=1S/C14H15BrN4O2/c1-6-13(7(2)19(3)18-6)21-11-5-10-8(4-9(11)15)12(16)14(20)17-10/h4-5,12H,16H2,1-3H3,(H,17,20)
InChIKeyDCUJNCKSMOSAAJ-UHFFFAOYSA-N
MW351.20 g/mol
LogP2.54
Rot. Bonds2

About 3-amino-5-bromo-6-(1,3,5-trimethylpyrazol-4-yl)oxy-1,3-dihydroindol-2-one

3-amino-5-bromo-6-(1,3,5-trimethylpyrazol-4-yl)oxy-1,3-dihydroindol-2-one (PubChem CID 79343756) has the molecular formula C14H15BrN4O2 and a molecular weight of 351.20 g/mol. Its IUPAC name is 3-amino-5-bromo-6-(1,3,5-trimethylpyrazol-4-yl)oxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-5-bromo-6-(1,3,5-trimethylpyrazol-4-yl)oxy-1,3-dihydroindol-2-one
PubChem CID79343756
Molecular FormulaC14H15BrN4O2
Molecular Weight351.20 g/mol
Exact Mass350.04
IUPAC Name3-amino-5-bromo-6-(1,3,5-trimethylpyrazol-4-yl)oxy-1,3-dihydroindol-2-one
SMILESCc1nn(C)c(C)c1Oc1cc2c(cc1Br)C(N)C(=O)N2
InChIInChI=1S/C14H15BrN4O2/c1-6-13(7(2)19(3)18-6)21-11-5-10-8(4-9(11)15)12(16)14(20)17-10/h4-5,12H,16H2,1-3H3,(H,17,20)
InChIKeyDCUJNCKSMOSAAJ-UHFFFAOYSA-N
XLogP2.54
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-6-(1,3,5-trimethylpyrazol-4-yl)oxy-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-5-bromo-6-(1,3,5-trimethylpyrazol-4-yl)oxy-1,3-dihydroindol-2-one (CID 79343756) is 3-amino-5-bromo-6-(1,3,5-trimethylpyrazol-4-yl)oxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-5-bromo-6-(1,3,5-trimethylpyrazol-4-yl)oxy-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-5-bromo-6-(1,3,5-trimethylpyrazol-4-yl)oxy-1,3-dihydroindol-2-one is Cc1nn(C)c(C)c1Oc1cc2c(cc1Br)C(N)C(=O)N2.
What is the InChIKey of 3-amino-5-bromo-6-(1,3,5-trimethylpyrazol-4-yl)oxy-1,3-dihydroindol-2-one?
The InChIKey is DCUJNCKSMOSAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O2/c1-6-13(7(2)19(3)18-6)21-11-5-10-8(4-9(11)15)12(16)14(20)17-10/h4-5,12H,16H2,1-3H3,(H,17,20).
What are the key properties of 3-amino-5-bromo-6-(1,3,5-trimethylpyrazol-4-yl)oxy-1,3-dihydroindol-2-one?
3-amino-5-bromo-6-(1,3,5-trimethylpyrazol-4-yl)oxy-1,3-dihydroindol-2-one has a molecular weight of 351.20 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-6-(1,3,5-trimethylpyrazol-4-yl)oxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 79343756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).