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

C14H15BrN4O2 — CID 81336762

IUPAC5-bromo-3-(ethylamino)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one
SMILESCCNC1C(=O)Nc2cc(Oc3cc(C)[nH]n3)c(Br)cc21
InChIInChI=1S/C14H15BrN4O2/c1-3-16-13-8-5-9(15)11(6-10(8)17-14(13)20)21-12-4-7(2)18-19-12/h4-6,13,16H,3H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyWTQCRXNFEFCGPD-UHFFFAOYSA-N
MW351.20 g/mol
LogP2.88
Rot. Bonds4

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

5-bromo-3-(ethylamino)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one (PubChem CID 81336762) has the molecular formula C14H15BrN4O2 and a molecular weight of 351.20 g/mol. Its IUPAC name is 5-bromo-3-(ethylamino)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-bromo-3-(ethylamino)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one
PubChem CID81336762
Molecular FormulaC14H15BrN4O2
Molecular Weight351.20 g/mol
Exact Mass350.04
IUPAC Name5-bromo-3-(ethylamino)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one
SMILESCCNC1C(=O)Nc2cc(Oc3cc(C)[nH]n3)c(Br)cc21
InChIInChI=1S/C14H15BrN4O2/c1-3-16-13-8-5-9(15)11(6-10(8)17-14(13)20)21-12-4-7(2)18-19-12/h4-6,13,16H,3H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyWTQCRXNFEFCGPD-UHFFFAOYSA-N
XLogP2.88
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(ethylamino)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one?
The IUPAC name of 5-bromo-3-(ethylamino)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one (CID 81336762) is 5-bromo-3-(ethylamino)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-bromo-3-(ethylamino)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-bromo-3-(ethylamino)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one is CCNC1C(=O)Nc2cc(Oc3cc(C)[nH]n3)c(Br)cc21.
What is the InChIKey of 5-bromo-3-(ethylamino)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one?
The InChIKey is WTQCRXNFEFCGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O2/c1-3-16-13-8-5-9(15)11(6-10(8)17-14(13)20)21-12-4-7(2)18-19-12/h4-6,13,16H,3H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 5-bromo-3-(ethylamino)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one?
5-bromo-3-(ethylamino)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one has a molecular weight of 351.20 g/mol, XLogP of 2.88, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(ethylamino)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one is sourced from PubChem (CID 81336762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).