6-bromo-1-[[2-(difluoromethoxy)-5-(ethylaminomethyl)phenyl]methyl]-2-methylindazol-3-one

C19H20BrF2N3O2 — CID 122620327

IUPAC6-bromo-1-[[2-(difluoromethoxy)-5-(ethylaminomethyl)phenyl]methyl]-2-methylindazol-3-one
SMILESCCNCc1ccc(OC(F)F)c(Cn2c3cc(Br)ccc3c(=O)n2C)c1
InChIInChI=1S/C19H20BrF2N3O2/c1-3-23-10-12-4-7-17(27-19(21)22)13(8-12)11-25-16-9-14(20)5-6-15(16)18(26)24(25)2/h4-9,19,23H,3,10-11H2,1-2H3
InChIKeyYURYTBVZVRDIJN-UHFFFAOYSA-N
MW440.29 g/mol
LogP3.86
Rot. Bonds7

About 6-bromo-1-[[2-(difluoromethoxy)-5-(ethylaminomethyl)phenyl]methyl]-2-methylindazol-3-one

6-bromo-1-[[2-(difluoromethoxy)-5-(ethylaminomethyl)phenyl]methyl]-2-methylindazol-3-one (PubChem CID 122620327) has the molecular formula C19H20BrF2N3O2 and a molecular weight of 440.29 g/mol. Its IUPAC name is 6-bromo-1-[[2-(difluoromethoxy)-5-(ethylaminomethyl)phenyl]methyl]-2-methylindazol-3-one.

Molecular Properties

Compound Name6-bromo-1-[[2-(difluoromethoxy)-5-(ethylaminomethyl)phenyl]methyl]-2-methylindazol-3-one
PubChem CID122620327
Molecular FormulaC19H20BrF2N3O2
Molecular Weight440.29 g/mol
Exact Mass439.07
IUPAC Name6-bromo-1-[[2-(difluoromethoxy)-5-(ethylaminomethyl)phenyl]methyl]-2-methylindazol-3-one
SMILESCCNCc1ccc(OC(F)F)c(Cn2c3cc(Br)ccc3c(=O)n2C)c1
InChIInChI=1S/C19H20BrF2N3O2/c1-3-23-10-12-4-7-17(27-19(21)22)13(8-12)11-25-16-9-14(20)5-6-15(16)18(26)24(25)2/h4-9,19,23H,3,10-11H2,1-2H3
InChIKeyYURYTBVZVRDIJN-UHFFFAOYSA-N
XLogP3.86
TPSA48.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.29
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-bromo-1-[[2-(difluoromethoxy)-5-(ethylaminomethyl)phenyl]methyl]-2-methylindazol-3-one with MolForge

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

Launch Full Analysis

Related Compounds

6-bromo-1-[[2-(difluoromethoxy)-5-(hydroxymethyl)phenyl]methyl]-5-fluoro-2-methylindazol-3-one
CID 122620899
N-[[3-bromo-4-(difluoromethoxy)phenyl]methyl]ethanamine
CID 63045683
1-[[2-(difluoromethoxy)-5-(trityloxymethyl)phenyl]methyl]-2-methylindazol-3-one
CID 122623165
1-[[2-(difluoromethoxy)-5-(1H-pyrrol-3-ylmethyl)phenyl]methyl]-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylindazol-3-one
CID 158746647
6-[2-(4-acetyl-3-methylpiperazin-1-yl)pyrimidin-5-yl]-1-[[5-(bromomethyl)-2-(difluoromethoxy)phenyl]methyl]-2-methylindazol-3-one
CID 122620611
6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[5-(bromomethyl)-2-(difluoromethoxy)phenyl]methyl]-2-methylindazol-3-one
CID 122620608
5-[[[5-bromo-2-(difluoromethoxy)phenyl]methylamino]methyl]-2-methoxyphenol
CID 119107226
7-[5-[1-[[2-(difluoromethoxy)-5-(hydroxymethyl)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 122620574
2-[4-(difluoromethoxy)-3-[[6-[2-[4-(2-hydroxyacetyl)-2-methylpiperazin-1-yl]pyrimidin-5-yl]-2-methyl-3-oxoindazol-1-yl]methyl]phenyl]acetonitrile
CID 122620693
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-1-(3-bromophenyl)methanamine
CID 61401345
2-[3-[[6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-2-methyl-3-oxoindazol-1-yl]methyl]-4-(difluoromethoxy)phenyl]acetonitrile
CID 122620287
1-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-(2-piperidin-1-ylpyrimidin-5-yl)indazol-3-one
CID 122629452

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-[[2-(difluoromethoxy)-5-(ethylaminomethyl)phenyl]methyl]-2-methylindazol-3-one?
The IUPAC name of 6-bromo-1-[[2-(difluoromethoxy)-5-(ethylaminomethyl)phenyl]methyl]-2-methylindazol-3-one (CID 122620327) is 6-bromo-1-[[2-(difluoromethoxy)-5-(ethylaminomethyl)phenyl]methyl]-2-methylindazol-3-one.
What is the SMILES notation for 6-bromo-1-[[2-(difluoromethoxy)-5-(ethylaminomethyl)phenyl]methyl]-2-methylindazol-3-one?
The canonical SMILES for 6-bromo-1-[[2-(difluoromethoxy)-5-(ethylaminomethyl)phenyl]methyl]-2-methylindazol-3-one is CCNCc1ccc(OC(F)F)c(Cn2c3cc(Br)ccc3c(=O)n2C)c1.
What is the InChIKey of 6-bromo-1-[[2-(difluoromethoxy)-5-(ethylaminomethyl)phenyl]methyl]-2-methylindazol-3-one?
The InChIKey is YURYTBVZVRDIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrF2N3O2/c1-3-23-10-12-4-7-17(27-19(21)22)13(8-12)11-25-16-9-14(20)5-6-15(16)18(26)24(25)2/h4-9,19,23H,3,10-11H2,1-2H3.
What are the key properties of 6-bromo-1-[[2-(difluoromethoxy)-5-(ethylaminomethyl)phenyl]methyl]-2-methylindazol-3-one?
6-bromo-1-[[2-(difluoromethoxy)-5-(ethylaminomethyl)phenyl]methyl]-2-methylindazol-3-one has a molecular weight of 440.29 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-[[2-(difluoromethoxy)-5-(ethylaminomethyl)phenyl]methyl]-2-methylindazol-3-one is sourced from PubChem (CID 122620327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).