5-amino-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-1,3-dihydroindol-2-one

C15H19N5O — CID 79224507

IUPAC5-amino-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-1,3-dihydroindol-2-one
SMILESCc1nn(C)c(C)c1CNc1cc2c(cc1N)CC(=O)N2
InChIInChI=1S/C15H19N5O/c1-8-11(9(2)20(3)19-8)7-17-14-6-13-10(4-12(14)16)5-15(21)18-13/h4,6,17H,5,7,16H2,1-3H3,(H,18,21)
InChIKeyMYAYNSCBKMGEMA-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.73
Rot. Bonds3

About 5-amino-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-1,3-dihydroindol-2-one

5-amino-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-1,3-dihydroindol-2-one (PubChem CID 79224507) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 5-amino-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-amino-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-1,3-dihydroindol-2-one
PubChem CID79224507
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name5-amino-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-1,3-dihydroindol-2-one
SMILESCc1nn(C)c(C)c1CNc1cc2c(cc1N)CC(=O)N2
InChIInChI=1S/C15H19N5O/c1-8-11(9(2)20(3)19-8)7-17-14-6-13-10(4-12(14)16)5-15(21)18-13/h4,6,17H,5,7,16H2,1-3H3,(H,18,21)
InChIKeyMYAYNSCBKMGEMA-UHFFFAOYSA-N
XLogP1.73
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-6-[(1-methylimidazol-2-yl)methylamino]-1,3-dihydroindol-2-one
CID 63293613
5-amino-6-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1,3-dihydroindol-2-one
CID 54982616
5-amino-6-[(5-methylfuran-2-yl)methylamino]-1,3-dihydroindol-2-one
CID 62524524
5-amino-6-[(4-ethylphenyl)methylamino]-1,3-dihydroindol-2-one
CID 106899271
5-amino-6-[(5-methylthiophen-2-yl)methylamino]-1,3-dihydroindol-2-one
CID 62057206
5-amino-6-(2-aminoethylamino)-1,3-dihydroindol-2-one
CID 62480998
5-amino-6-(2-pyrrolidin-1-ylethylamino)-1,3-dihydroindol-2-one
CID 55097566
3-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-2,2-dimethylpropanamide
CID 106275147
5-amino-6-[(2-ethyl-2-hydroxybutyl)amino]-1,3-dihydroindol-2-one
CID 65103163
5-amino-6-[(4-hydroxy-2,2-dimethylbutyl)amino]-1,3-dihydroindol-2-one
CID 106140691
5-amino-6-(pyridin-3-ylmethylamino)-1,3-dihydroindol-2-one
CID 43451711
5-amino-6-(2-hydroxybutylamino)-1,3-dihydroindol-2-one
CID 113491919

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-amino-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-1,3-dihydroindol-2-one (CID 79224507) is 5-amino-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-amino-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-amino-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-1,3-dihydroindol-2-one is Cc1nn(C)c(C)c1CNc1cc2c(cc1N)CC(=O)N2.
What is the InChIKey of 5-amino-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-1,3-dihydroindol-2-one?
The InChIKey is MYAYNSCBKMGEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-8-11(9(2)20(3)19-8)7-17-14-6-13-10(4-12(14)16)5-15(21)18-13/h4,6,17H,5,7,16H2,1-3H3,(H,18,21).
What are the key properties of 5-amino-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-1,3-dihydroindol-2-one?
5-amino-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-1,3-dihydroindol-2-one has a molecular weight of 285.35 g/mol, XLogP of 1.73, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 79224507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).