N-[(5-fluoro-2-methylsulfonylphenyl)methyl]-3-pyridin-3-yl-1H-indazol-5-amine

C20H17FN4O2S — CID 155529416

IUPACN-[(5-fluoro-2-methylsulfonylphenyl)methyl]-3-pyridin-3-yl-1H-indazol-5-amine
SMILESCS(=O)(=O)c1ccc(F)cc1CNc1ccc2[nH]nc(-c3cccnc3)c2c1
InChIInChI=1S/C20H17FN4O2S/c1-28(26,27)19-7-4-15(21)9-14(19)12-23-16-5-6-18-17(10-16)20(25-24-18)13-3-2-8-22-11-13/h2-11,23H,12H2,1H3,(H,24,25)
InChIKeyZOXMAFNUVOAGHQ-UHFFFAOYSA-N
MW396.45 g/mol
LogP3.78
Rot. Bonds5

About N-[(5-fluoro-2-methylsulfonylphenyl)methyl]-3-pyridin-3-yl-1H-indazol-5-amine

N-[(5-fluoro-2-methylsulfonylphenyl)methyl]-3-pyridin-3-yl-1H-indazol-5-amine (PubChem CID 155529416) has the molecular formula C20H17FN4O2S and a molecular weight of 396.45 g/mol. Its IUPAC name is N-[(5-fluoro-2-methylsulfonylphenyl)methyl]-3-pyridin-3-yl-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[(5-fluoro-2-methylsulfonylphenyl)methyl]-3-pyridin-3-yl-1H-indazol-5-amine
PubChem CID155529416
Molecular FormulaC20H17FN4O2S
Molecular Weight396.45 g/mol
Exact Mass396.11
IUPAC NameN-[(5-fluoro-2-methylsulfonylphenyl)methyl]-3-pyridin-3-yl-1H-indazol-5-amine
SMILESCS(=O)(=O)c1ccc(F)cc1CNc1ccc2[nH]nc(-c3cccnc3)c2c1
InChIInChI=1S/C20H17FN4O2S/c1-28(26,27)19-7-4-15(21)9-14(19)12-23-16-5-6-18-17(10-16)20(25-24-18)13-3-2-8-22-11-13/h2-11,23H,12H2,1H3,(H,24,25)
InChIKeyZOXMAFNUVOAGHQ-UHFFFAOYSA-N
XLogP3.78
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-methylsulfonylphenyl)methyl]-3-pyridin-3-yl-1H-indazol-5-amine?
The IUPAC name of N-[(5-fluoro-2-methylsulfonylphenyl)methyl]-3-pyridin-3-yl-1H-indazol-5-amine (CID 155529416) is N-[(5-fluoro-2-methylsulfonylphenyl)methyl]-3-pyridin-3-yl-1H-indazol-5-amine.
What is the SMILES notation for N-[(5-fluoro-2-methylsulfonylphenyl)methyl]-3-pyridin-3-yl-1H-indazol-5-amine?
The canonical SMILES for N-[(5-fluoro-2-methylsulfonylphenyl)methyl]-3-pyridin-3-yl-1H-indazol-5-amine is CS(=O)(=O)c1ccc(F)cc1CNc1ccc2[nH]nc(-c3cccnc3)c2c1.
What is the InChIKey of N-[(5-fluoro-2-methylsulfonylphenyl)methyl]-3-pyridin-3-yl-1H-indazol-5-amine?
The InChIKey is ZOXMAFNUVOAGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2S/c1-28(26,27)19-7-4-15(21)9-14(19)12-23-16-5-6-18-17(10-16)20(25-24-18)13-3-2-8-22-11-13/h2-11,23H,12H2,1H3,(H,24,25).
What are the key properties of N-[(5-fluoro-2-methylsulfonylphenyl)methyl]-3-pyridin-3-yl-1H-indazol-5-amine?
N-[(5-fluoro-2-methylsulfonylphenyl)methyl]-3-pyridin-3-yl-1H-indazol-5-amine has a molecular weight of 396.45 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-methylsulfonylphenyl)methyl]-3-pyridin-3-yl-1H-indazol-5-amine is sourced from PubChem (CID 155529416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).