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

C20H17FN4O2S — CID 155568540

IUPACN-[(5-fluoro-2-methylsulfonylphenyl)methyl]-3-pyridin-2-yl-1H-indazol-5-amine
SMILESCS(=O)(=O)c1ccc(F)cc1CNc1ccc2[nH]nc(-c3ccccn3)c2c1
InChIInChI=1S/C20H17FN4O2S/c1-28(26,27)19-8-5-14(21)10-13(19)12-23-15-6-7-17-16(11-15)20(25-24-17)18-4-2-3-9-22-18/h2-11,23H,12H2,1H3,(H,24,25)
InChIKeyBXULTAVLHMMZTJ-UHFFFAOYSA-N
MW396.45 g/mol
LogP3.78
Rot. Bonds5

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

N-[(5-fluoro-2-methylsulfonylphenyl)methyl]-3-pyridin-2-yl-1H-indazol-5-amine (PubChem CID 155568540) 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-2-yl-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[(5-fluoro-2-methylsulfonylphenyl)methyl]-3-pyridin-2-yl-1H-indazol-5-amine
PubChem CID155568540
Molecular FormulaC20H17FN4O2S
Molecular Weight396.45 g/mol
Exact Mass396.11
IUPAC NameN-[(5-fluoro-2-methylsulfonylphenyl)methyl]-3-pyridin-2-yl-1H-indazol-5-amine
SMILESCS(=O)(=O)c1ccc(F)cc1CNc1ccc2[nH]nc(-c3ccccn3)c2c1
InChIInChI=1S/C20H17FN4O2S/c1-28(26,27)19-8-5-14(21)10-13(19)12-23-15-6-7-17-16(11-15)20(25-24-17)18-4-2-3-9-22-18/h2-11,23H,12H2,1H3,(H,24,25)
InChIKeyBXULTAVLHMMZTJ-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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Related Compounds

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
N-[(5-fluoro-2-methylsulfonylphenyl)methyl]-3-(1-methylpyrazol-4-yl)-1H-indazol-5-amine
CID 155557330
N-[(2S)-1-[[1-(6-fluoro-3-pyridinyl)indazol-4-yl]amino]propan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 16049465
2-pyridin-4-yl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide
CID 68229839
N-[4-(6-fluoro-1H-indazol-3-yl)phenyl]pyridine-3-sulfonamide
CID 155424832
N-[(3-fluoro-5-methylphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine
CID 156734031
N-[(3,5-difluorophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine
CID 156734071
N-[(3,5-difluorophenyl)methyl]-N-methyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-5-amine
CID 156734078
N-[(3-fluorophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine
CID 156734092
N-[(1S)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine
CID 156734102
N-[(4-fluorophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine
CID 156734104

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-methylsulfonylphenyl)methyl]-3-pyridin-2-yl-1H-indazol-5-amine?
The IUPAC name of N-[(5-fluoro-2-methylsulfonylphenyl)methyl]-3-pyridin-2-yl-1H-indazol-5-amine (CID 155568540) is N-[(5-fluoro-2-methylsulfonylphenyl)methyl]-3-pyridin-2-yl-1H-indazol-5-amine.
What is the SMILES notation for N-[(5-fluoro-2-methylsulfonylphenyl)methyl]-3-pyridin-2-yl-1H-indazol-5-amine?
The canonical SMILES for N-[(5-fluoro-2-methylsulfonylphenyl)methyl]-3-pyridin-2-yl-1H-indazol-5-amine is CS(=O)(=O)c1ccc(F)cc1CNc1ccc2[nH]nc(-c3ccccn3)c2c1.
What is the InChIKey of N-[(5-fluoro-2-methylsulfonylphenyl)methyl]-3-pyridin-2-yl-1H-indazol-5-amine?
The InChIKey is BXULTAVLHMMZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2S/c1-28(26,27)19-8-5-14(21)10-13(19)12-23-15-6-7-17-16(11-15)20(25-24-17)18-4-2-3-9-22-18/h2-11,23H,12H2,1H3,(H,24,25).
What are the key properties of N-[(5-fluoro-2-methylsulfonylphenyl)methyl]-3-pyridin-2-yl-1H-indazol-5-amine?
N-[(5-fluoro-2-methylsulfonylphenyl)methyl]-3-pyridin-2-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-2-yl-1H-indazol-5-amine is sourced from PubChem (CID 155568540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).