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

C13H13BrN4O2 — CID 81341766

IUPAC5-bromo-3-(methylamino)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(Oc3cc(C)[nH]n3)c(Br)cc21
InChIInChI=1S/C13H13BrN4O2/c1-6-3-11(18-17-6)20-10-5-9-7(4-8(10)14)12(15-2)13(19)16-9/h3-5,12,15H,1-2H3,(H,16,19)(H,17,18)
InChIKeyJZZANHHCQUCWDS-UHFFFAOYSA-N
MW337.18 g/mol
LogP2.49
Rot. Bonds3

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

5-bromo-3-(methylamino)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one (PubChem CID 81341766) has the molecular formula C13H13BrN4O2 and a molecular weight of 337.18 g/mol. Its IUPAC name is 5-bromo-3-(methylamino)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-bromo-3-(methylamino)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one
PubChem CID81341766
Molecular FormulaC13H13BrN4O2
Molecular Weight337.18 g/mol
Exact Mass336.02
IUPAC Name5-bromo-3-(methylamino)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(Oc3cc(C)[nH]n3)c(Br)cc21
InChIInChI=1S/C13H13BrN4O2/c1-6-3-11(18-17-6)20-10-5-9-7(4-8(10)14)12(15-2)13(19)16-9/h3-5,12,15H,1-2H3,(H,16,19)(H,17,18)
InChIKeyJZZANHHCQUCWDS-UHFFFAOYSA-N
XLogP2.49
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.18
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(methylamino)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one?
The IUPAC name of 5-bromo-3-(methylamino)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one (CID 81341766) is 5-bromo-3-(methylamino)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-bromo-3-(methylamino)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-bromo-3-(methylamino)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one is CNC1C(=O)Nc2cc(Oc3cc(C)[nH]n3)c(Br)cc21.
What is the InChIKey of 5-bromo-3-(methylamino)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one?
The InChIKey is JZZANHHCQUCWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4O2/c1-6-3-11(18-17-6)20-10-5-9-7(4-8(10)14)12(15-2)13(19)16-9/h3-5,12,15H,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 5-bromo-3-(methylamino)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one?
5-bromo-3-(methylamino)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one has a molecular weight of 337.18 g/mol, XLogP of 2.49, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(methylamino)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one is sourced from PubChem (CID 81341766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).