N-(5-fluoro-1H-indazol-3-yl)-6-methylsulfonylquinolin-4-amine

C17H13FN4O2S — CID 67469028

IUPACN-(5-fluoro-1H-indazol-3-yl)-6-methylsulfonylquinolin-4-amine
SMILESCS(=O)(=O)c1ccc2nccc(Nc3n[nH]c4ccc(F)cc34)c2c1
InChIInChI=1S/C17H13FN4O2S/c1-25(23,24)11-3-5-14-12(9-11)15(6-7-19-14)20-17-13-8-10(18)2-4-16(13)21-22-17/h2-9H,1H3,(H2,19,20,21,22)
InChIKeyBCAKUFHSLVJJMR-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.40
Rot. Bonds3

About N-(5-fluoro-1H-indazol-3-yl)-6-methylsulfonylquinolin-4-amine

N-(5-fluoro-1H-indazol-3-yl)-6-methylsulfonylquinolin-4-amine (PubChem CID 67469028) has the molecular formula C17H13FN4O2S and a molecular weight of 356.38 g/mol. Its IUPAC name is N-(5-fluoro-1H-indazol-3-yl)-6-methylsulfonylquinolin-4-amine.

Molecular Properties

Compound NameN-(5-fluoro-1H-indazol-3-yl)-6-methylsulfonylquinolin-4-amine
PubChem CID67469028
Molecular FormulaC17H13FN4O2S
Molecular Weight356.38 g/mol
Exact Mass356.07
IUPAC NameN-(5-fluoro-1H-indazol-3-yl)-6-methylsulfonylquinolin-4-amine
SMILESCS(=O)(=O)c1ccc2nccc(Nc3n[nH]c4ccc(F)cc34)c2c1
InChIInChI=1S/C17H13FN4O2S/c1-25(23,24)11-3-5-14-12(9-11)15(6-7-19-14)20-17-13-8-10(18)2-4-16(13)21-22-17/h2-9H,1H3,(H2,19,20,21,22)
InChIKeyBCAKUFHSLVJJMR-UHFFFAOYSA-N
XLogP3.40
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Gsk583
CID 67469084
N^4^-1H-Indazol-4-YL-N^2^-[3-(methylsulfonyl)phenyl]pyrimidine-2,4-diamine
CID 15980171
2-Amino-pyrazolopyridine, 19
CID 25093256
N-[(5-fluoro-2-methylsulfonylphenyl)methyl]-3-pyridin-3-yl-1H-indazol-5-amine
CID 155529416
N-[(5-fluoro-2-methylsulfonylphenyl)methyl]-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazol-5-amine
CID 155545104
N4-(1H-indazol-4-yl)-N4-methyl-N2-(3-(methylsulfonyl)phenyl)pyrimidine-2,4-diamine
CID 16663248
6-(1h-Indazol-4-yl)-1-methyl-n-(4-(methylsulfonyl)phenyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
CID 44180268
6-tert-butylsulfonyl-N-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)quinolin-4-amine
CID 54674292
6-tert-butylsulfonyl-N-(4,5-dimethyl-1H-pyrazol-3-yl)quinolin-4-amine
CID 56649284
6-tert-butylsulfonyl-N-(4,5-dimethyl-1H-pyrazol-3-yl)-7-ethylquinolin-4-amine
CID 60199310
N-(5-fluoro-1H-indazol-3-yl)-6-propan-2-ylsulfonylquinolin-4-amine
CID 67468733
4-N-(5-fluoro-1H-indazol-3-yl)-2-N-(2-fluoro-4-methylsulfonylphenyl)pyrimidine-2,4-diamine
CID 71224766

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-1H-indazol-3-yl)-6-methylsulfonylquinolin-4-amine?
The IUPAC name of N-(5-fluoro-1H-indazol-3-yl)-6-methylsulfonylquinolin-4-amine (CID 67469028) is N-(5-fluoro-1H-indazol-3-yl)-6-methylsulfonylquinolin-4-amine.
What is the SMILES notation for N-(5-fluoro-1H-indazol-3-yl)-6-methylsulfonylquinolin-4-amine?
The canonical SMILES for N-(5-fluoro-1H-indazol-3-yl)-6-methylsulfonylquinolin-4-amine is CS(=O)(=O)c1ccc2nccc(Nc3n[nH]c4ccc(F)cc34)c2c1.
What is the InChIKey of N-(5-fluoro-1H-indazol-3-yl)-6-methylsulfonylquinolin-4-amine?
The InChIKey is BCAKUFHSLVJJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O2S/c1-25(23,24)11-3-5-14-12(9-11)15(6-7-19-14)20-17-13-8-10(18)2-4-16(13)21-22-17/h2-9H,1H3,(H2,19,20,21,22).
What are the key properties of N-(5-fluoro-1H-indazol-3-yl)-6-methylsulfonylquinolin-4-amine?
N-(5-fluoro-1H-indazol-3-yl)-6-methylsulfonylquinolin-4-amine has a molecular weight of 356.38 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-1H-indazol-3-yl)-6-methylsulfonylquinolin-4-amine is sourced from PubChem (CID 67469028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).