4-bromo-6-fluoro-N,N-dimethyl-5-methylsulfanyl-1H-indazol-7-amine

C10H11BrFN3S — CID 163220447

IUPAC4-bromo-6-fluoro-N,N-dimethyl-5-methylsulfanyl-1H-indazol-7-amine
SMILESCSc1c(F)c(N(C)C)c2[nH]ncc2c1Br
InChIInChI=1S/C10H11BrFN3S/c1-15(2)9-7(12)10(16-3)6(11)5-4-13-14-8(5)9/h4H,1-3H3,(H,13,14)
InChIKeyZHZJVSRCRQGHDL-UHFFFAOYSA-N
MW304.19 g/mol
LogP3.25
Rot. Bonds2

About 4-bromo-6-fluoro-N,N-dimethyl-5-methylsulfanyl-1H-indazol-7-amine

4-bromo-6-fluoro-N,N-dimethyl-5-methylsulfanyl-1H-indazol-7-amine (PubChem CID 163220447) has the molecular formula C10H11BrFN3S and a molecular weight of 304.19 g/mol. Its IUPAC name is 4-bromo-6-fluoro-N,N-dimethyl-5-methylsulfanyl-1H-indazol-7-amine.

Molecular Properties

Compound Name4-bromo-6-fluoro-N,N-dimethyl-5-methylsulfanyl-1H-indazol-7-amine
PubChem CID163220447
Molecular FormulaC10H11BrFN3S
Molecular Weight304.19 g/mol
Exact Mass302.98
IUPAC Name4-bromo-6-fluoro-N,N-dimethyl-5-methylsulfanyl-1H-indazol-7-amine
SMILESCSc1c(F)c(N(C)C)c2[nH]ncc2c1Br
InChIInChI=1S/C10H11BrFN3S/c1-15(2)9-7(12)10(16-3)6(11)5-4-13-14-8(5)9/h4H,1-3H3,(H,13,14)
InChIKeyZHZJVSRCRQGHDL-UHFFFAOYSA-N
XLogP3.25
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-bromo-6-fluoro-N,N-dimethyl-5-methylsulfanyl-1H-indazol-7-amine 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-fluoro-N,N,5-trimethyl-4-(1,3-thiazol-5-yl)-1H-indazol-7-amine
CID 175750898
6-fluoro-N,N,5-trimethyl-4-(2H-1,3-thiazol-3-yl)-1H-indazol-7-amine
CID 175381914
cis-(1S,2S)-N-[6-[7-(dimethylamino)-6-fluoro-5-methylsulfanyl-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164520694
4-bromo-5,7-dimethyl-1H-indazole
CID 70630386
N-[5-[7-[ethyl(methyl)amino]-6-fluoro-5-methylsulfanyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]formamide
CID 163221088
4-bromo-6-fluoro-5-methyl-1H-indazole
CID 139508183
4-bromo-6-fluoro-5-iodo-7-nitro-1H-indazole
CID 164520281
5-chloro-6-fluoro-N,N-dimethyl-4-[2-(methylamino)imidazo[1,2-a]pyridin-6-yl]-1H-indazol-7-amine
CID 163221163
methyl 4-bromo-5-fluoro-1H-indazole-7-carboxylate
CID 167501849
5-(5-chloro-6-fluoro-7-methylsulfanyl-1H-indazol-4-yl)-1,3-thiazole
CID 175750890
(4-fluoro-5-methyl-1H-indazol-7-yl) thiohypochlorite
CID 164573640
5-bromo-N,N-dimethyl-1H-indazol-7-amine
CID 150401097

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-fluoro-N,N-dimethyl-5-methylsulfanyl-1H-indazol-7-amine?
The IUPAC name of 4-bromo-6-fluoro-N,N-dimethyl-5-methylsulfanyl-1H-indazol-7-amine (CID 163220447) is 4-bromo-6-fluoro-N,N-dimethyl-5-methylsulfanyl-1H-indazol-7-amine.
What is the SMILES notation for 4-bromo-6-fluoro-N,N-dimethyl-5-methylsulfanyl-1H-indazol-7-amine?
The canonical SMILES for 4-bromo-6-fluoro-N,N-dimethyl-5-methylsulfanyl-1H-indazol-7-amine is CSc1c(F)c(N(C)C)c2[nH]ncc2c1Br.
What is the InChIKey of 4-bromo-6-fluoro-N,N-dimethyl-5-methylsulfanyl-1H-indazol-7-amine?
The InChIKey is ZHZJVSRCRQGHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFN3S/c1-15(2)9-7(12)10(16-3)6(11)5-4-13-14-8(5)9/h4H,1-3H3,(H,13,14).
What are the key properties of 4-bromo-6-fluoro-N,N-dimethyl-5-methylsulfanyl-1H-indazol-7-amine?
4-bromo-6-fluoro-N,N-dimethyl-5-methylsulfanyl-1H-indazol-7-amine has a molecular weight of 304.19 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-fluoro-N,N-dimethyl-5-methylsulfanyl-1H-indazol-7-amine is sourced from PubChem (CID 163220447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).