3-amino-5-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-1,3-dihydroindol-2-one

C14H15ClN4O2 — CID 116801775

IUPAC3-amino-5-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-1,3-dihydroindol-2-one
SMILESCC(C)n1cc(Oc2cc3c(cc2Cl)C(N)C(=O)N3)cn1
InChIInChI=1S/C14H15ClN4O2/c1-7(2)19-6-8(5-17-19)21-12-4-11-9(3-10(12)15)13(16)14(20)18-11/h3-7,13H,16H2,1-2H3,(H,18,20)
InChIKeyPIGLZVQSGRXYJP-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.86
Rot. Bonds3

About 3-amino-5-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-1,3-dihydroindol-2-one

3-amino-5-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-1,3-dihydroindol-2-one (PubChem CID 116801775) has the molecular formula C14H15ClN4O2 and a molecular weight of 306.75 g/mol. Its IUPAC name is 3-amino-5-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-5-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-1,3-dihydroindol-2-one
PubChem CID116801775
Molecular FormulaC14H15ClN4O2
Molecular Weight306.75 g/mol
Exact Mass306.09
IUPAC Name3-amino-5-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-1,3-dihydroindol-2-one
SMILESCC(C)n1cc(Oc2cc3c(cc2Cl)C(N)C(=O)N3)cn1
InChIInChI=1S/C14H15ClN4O2/c1-7(2)19-6-8(5-17-19)21-12-4-11-9(3-10(12)15)13(16)14(20)18-11/h3-7,13H,16H2,1-2H3,(H,18,20)
InChIKeyPIGLZVQSGRXYJP-UHFFFAOYSA-N
XLogP2.86
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-5-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-1,3-dihydroindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-5-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-1,3-dihydroindol-2-one (CID 116801775) is 3-amino-5-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-5-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-5-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-1,3-dihydroindol-2-one is CC(C)n1cc(Oc2cc3c(cc2Cl)C(N)C(=O)N3)cn1.
What is the InChIKey of 3-amino-5-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-1,3-dihydroindol-2-one?
The InChIKey is PIGLZVQSGRXYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2/c1-7(2)19-6-8(5-17-19)21-12-4-11-9(3-10(12)15)13(16)14(20)18-11/h3-7,13H,16H2,1-2H3,(H,18,20).
What are the key properties of 3-amino-5-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-1,3-dihydroindol-2-one?
3-amino-5-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-1,3-dihydroindol-2-one has a molecular weight of 306.75 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 116801775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).