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

C12H12N4O2 — CID 81342137

IUPAC3-amino-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one
SMILESCc1cc(Oc2ccc3c(c2)NC(=O)C3N)n[nH]1
InChIInChI=1S/C12H12N4O2/c1-6-4-10(16-15-6)18-7-2-3-8-9(5-7)14-12(17)11(8)13/h2-5,11H,13H2,1H3,(H,14,17)(H,15,16)
InChIKeyODCOJUXVSGTQOU-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.46
Rot. Bonds2

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

3-amino-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one (PubChem CID 81342137) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 3-amino-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one
PubChem CID81342137
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name3-amino-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one
SMILESCc1cc(Oc2ccc3c(c2)NC(=O)C3N)n[nH]1
InChIInChI=1S/C12H12N4O2/c1-6-4-10(16-15-6)18-7-2-3-8-9(5-7)14-12(17)11(8)13/h2-5,11H,13H2,1H3,(H,14,17)(H,15,16)
InChIKeyODCOJUXVSGTQOU-UHFFFAOYSA-N
XLogP1.46
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one (CID 81342137) is 3-amino-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one is Cc1cc(Oc2ccc3c(c2)NC(=O)C3N)n[nH]1.
What is the InChIKey of 3-amino-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one?
The InChIKey is ODCOJUXVSGTQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-6-4-10(16-15-6)18-7-2-3-8-9(5-7)14-12(17)11(8)13/h2-5,11H,13H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 3-amino-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one?
3-amino-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one has a molecular weight of 244.25 g/mol, XLogP of 1.46, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one is sourced from PubChem (CID 81342137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).