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

C13H13ClN4O2 — CID 81342043

IUPAC5-chloro-3-(methylamino)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(Oc3cc(C)[nH]n3)c(Cl)cc21
InChIInChI=1S/C13H13ClN4O2/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)
InChIKeyRXVDQCIRJMISSB-UHFFFAOYSA-N
MW292.73 g/mol
LogP2.38
Rot. Bonds3

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

5-chloro-3-(methylamino)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one (PubChem CID 81342043) has the molecular formula C13H13ClN4O2 and a molecular weight of 292.73 g/mol. Its IUPAC name is 5-chloro-3-(methylamino)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-chloro-3-(methylamino)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one
PubChem CID81342043
Molecular FormulaC13H13ClN4O2
Molecular Weight292.73 g/mol
Exact Mass292.07
IUPAC Name5-chloro-3-(methylamino)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(Oc3cc(C)[nH]n3)c(Cl)cc21
InChIInChI=1S/C13H13ClN4O2/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)
InChIKeyRXVDQCIRJMISSB-UHFFFAOYSA-N
XLogP2.38
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.73
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(methylamino)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one?
The IUPAC name of 5-chloro-3-(methylamino)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one (CID 81342043) is 5-chloro-3-(methylamino)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-chloro-3-(methylamino)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-chloro-3-(methylamino)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one is CNC1C(=O)Nc2cc(Oc3cc(C)[nH]n3)c(Cl)cc21.
What is the InChIKey of 5-chloro-3-(methylamino)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one?
The InChIKey is RXVDQCIRJMISSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O2/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-chloro-3-(methylamino)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one?
5-chloro-3-(methylamino)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one has a molecular weight of 292.73 g/mol, XLogP of 2.38, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(methylamino)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one is sourced from PubChem (CID 81342043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).