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

C14H16N4O2 — CID 81345679

IUPAC6-(2,5-dimethylpyrazol-3-yl)oxy-3-(methylamino)-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(Oc3cc(C)nn3C)ccc21
InChIInChI=1S/C14H16N4O2/c1-8-6-12(18(3)17-8)20-9-4-5-10-11(7-9)16-14(19)13(10)15-2/h4-7,13,15H,1-3H3,(H,16,19)
InChIKeyOJSAFZCPMWXHOC-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.73
Rot. Bonds3

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

6-(2,5-dimethylpyrazol-3-yl)oxy-3-(methylamino)-1,3-dihydroindol-2-one (PubChem CID 81345679) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 6-(2,5-dimethylpyrazol-3-yl)oxy-3-(methylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-(2,5-dimethylpyrazol-3-yl)oxy-3-(methylamino)-1,3-dihydroindol-2-one
PubChem CID81345679
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name6-(2,5-dimethylpyrazol-3-yl)oxy-3-(methylamino)-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(Oc3cc(C)nn3C)ccc21
InChIInChI=1S/C14H16N4O2/c1-8-6-12(18(3)17-8)20-9-4-5-10-11(7-9)16-14(19)13(10)15-2/h4-7,13,15H,1-3H3,(H,16,19)
InChIKeyOJSAFZCPMWXHOC-UHFFFAOYSA-N
XLogP1.73
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylpyrazol-3-yl)oxy-3-(methylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 6-(2,5-dimethylpyrazol-3-yl)oxy-3-(methylamino)-1,3-dihydroindol-2-one (CID 81345679) is 6-(2,5-dimethylpyrazol-3-yl)oxy-3-(methylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-(2,5-dimethylpyrazol-3-yl)oxy-3-(methylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-(2,5-dimethylpyrazol-3-yl)oxy-3-(methylamino)-1,3-dihydroindol-2-one is CNC1C(=O)Nc2cc(Oc3cc(C)nn3C)ccc21.
What is the InChIKey of 6-(2,5-dimethylpyrazol-3-yl)oxy-3-(methylamino)-1,3-dihydroindol-2-one?
The InChIKey is OJSAFZCPMWXHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-8-6-12(18(3)17-8)20-9-4-5-10-11(7-9)16-14(19)13(10)15-2/h4-7,13,15H,1-3H3,(H,16,19).
What are the key properties of 6-(2,5-dimethylpyrazol-3-yl)oxy-3-(methylamino)-1,3-dihydroindol-2-one?
6-(2,5-dimethylpyrazol-3-yl)oxy-3-(methylamino)-1,3-dihydroindol-2-one has a molecular weight of 272.31 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylpyrazol-3-yl)oxy-3-(methylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 81345679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).