4-[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-N-(2-hydroxyethyl)benzenesulfonamide

C20H17BrFN5O3S — CID 10255624

IUPAC4-[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-N-(2-hydroxyethyl)benzenesulfonamide
SMILESO=S(=O)(NCCO)c1ccc(Nc2cc(-c3ccccc3F)nc3c(Br)cnn23)cc1
InChIInChI=1S/C20H17BrFN5O3S/c21-16-12-23-27-19(11-18(26-20(16)27)15-3-1-2-4-17(15)22)25-13-5-7-14(8-6-13)31(29,30)24-9-10-28/h1-8,11-12,24-25,28H,9-10H2
InChIKeyCFELWOLINQVSOW-UHFFFAOYSA-N
MW506.36 g/mol
LogP3.31
Rot. Bonds7

About 4-[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-N-(2-hydroxyethyl)benzenesulfonamide

4-[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 10255624) has the molecular formula C20H17BrFN5O3S and a molecular weight of 506.36 g/mol. Its IUPAC name is 4-[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID10255624
Molecular FormulaC20H17BrFN5O3S
Molecular Weight506.36 g/mol
Exact Mass505.02
IUPAC Name4-[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-N-(2-hydroxyethyl)benzenesulfonamide
SMILESO=S(=O)(NCCO)c1ccc(Nc2cc(-c3ccccc3F)nc3c(Br)cnn23)cc1
InChIInChI=1S/C20H17BrFN5O3S/c21-16-12-23-27-19(11-18(26-20(16)27)15-3-1-2-4-17(15)22)25-13-5-7-14(8-6-13)31(29,30)24-9-10-28/h1-8,11-12,24-25,28H,9-10H2
InChIKeyCFELWOLINQVSOW-UHFFFAOYSA-N
XLogP3.31
TPSA108.62 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.36
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-[5-(trans-4-Aminocyclohexylamino)-3-isopropylpyrazolo[1,5-A]pyrimidin-7-ylamino]-N,N-dimethylbenzenesulfonamide
CID 5287990
4-({5-[(4-aminocyclohexyl)amino]-3-bromopyrazolo[1,5-a]pyrimidin-7-yl}amino)-N,N-dimethylbenzene-1-sulfonamide
CID 11386640
4-({5-[(4-aminocyclohexyl)amino]-3-cyclopentylpyrazolo[1,5-a]pyrimidin-7-yl}amino)-N,N-dimethylbenzene-1-sulfonamide
CID 23645566
4-[(5-{[4-(ethylamino)cyclohexyl]amino}-3-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzene-1-sulfonamide
CID 23645568
4-({5-[(3-aminocyclohexyl)amino]-3-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl}amino)-N,N-dimethylbenzene-1-sulfonamide
CID 23645571
7-(difluoromethyl)-N-[4-(methylsulfamoyl)phenyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2945206
4-[6-(3-Fluoro-benzylamino)-imidazo[1,2-b]pyridazin-3-yl]-benzenesulfonamide
CID 24937716
N-benzyl-3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 44444384
3-bromo-5-(2-fluorophenyl)-N-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 44444382
N-ethyl-4-fluoro-N-[3,3,3-trifluoro-2-hydroxy-2-[[(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]propyl]benzenesulfonamide
CID 45268476
4-[[4-(3-Ethylpyrazolo[3,4-b]pyridin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 70691239
4-[(5-imidazo[1,2-b]pyridazin-3-ylpyrimidin-2-yl)amino]-N-(2-methoxyethyl)benzenesulfonamide
CID 155566560

Frequently Asked Questions

What is the IUPAC name of 4-[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 4-[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-N-(2-hydroxyethyl)benzenesulfonamide (CID 10255624) is 4-[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 4-[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-N-(2-hydroxyethyl)benzenesulfonamide is O=S(=O)(NCCO)c1ccc(Nc2cc(-c3ccccc3F)nc3c(Br)cnn23)cc1.
What is the InChIKey of 4-[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is CFELWOLINQVSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrFN5O3S/c21-16-12-23-27-19(11-18(26-20(16)27)15-3-1-2-4-17(15)22)25-13-5-7-14(8-6-13)31(29,30)24-9-10-28/h1-8,11-12,24-25,28H,9-10H2.
What are the key properties of 4-[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-N-(2-hydroxyethyl)benzenesulfonamide?
4-[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 506.36 g/mol, XLogP of 3.31, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 10255624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).