6-bromo-2-methyl-N-[[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-sulfonamide

C20H22BrF3N6O2S — CID 166335620

IUPAC6-bromo-2-methyl-N-[[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-sulfonamide
SMILESCc1nn2cc(Br)cnc2c1S(=O)(=O)NCc1cc(C(F)(F)F)ccc1N1CCN(C)CC1
InChIInChI=1S/C20H22BrF3N6O2S/c1-13-18(19-25-11-16(21)12-30(19)27-13)33(31,32)26-10-14-9-15(20(22,23)24)3-4-17(14)29-7-5-28(2)6-8-29/h3-4,9,11-12,26H,5-8,10H2,1-2H3
InChIKeyGXCKEQCWZUGQPG-UHFFFAOYSA-N
MW547.40 g/mol
LogP3.05
Rot. Bonds5

About 6-bromo-2-methyl-N-[[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-sulfonamide

6-bromo-2-methyl-N-[[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-sulfonamide (PubChem CID 166335620) has the molecular formula C20H22BrF3N6O2S and a molecular weight of 547.40 g/mol. Its IUPAC name is 6-bromo-2-methyl-N-[[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-sulfonamide.

Molecular Properties

Compound Name6-bromo-2-methyl-N-[[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-sulfonamide
PubChem CID166335620
Molecular FormulaC20H22BrF3N6O2S
Molecular Weight547.40 g/mol
Exact Mass546.07
IUPAC Name6-bromo-2-methyl-N-[[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-sulfonamide
SMILESCc1nn2cc(Br)cnc2c1S(=O)(=O)NCc1cc(C(F)(F)F)ccc1N1CCN(C)CC1
InChIInChI=1S/C20H22BrF3N6O2S/c1-13-18(19-25-11-16(21)12-30(19)27-13)33(31,32)26-10-14-9-15(20(22,23)24)3-4-17(14)29-7-5-28(2)6-8-29/h3-4,9,11-12,26H,5-8,10H2,1-2H3
InChIKeyGXCKEQCWZUGQPG-UHFFFAOYSA-N
XLogP3.05
TPSA82.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-bromo-2-methyl-N-[[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methyl-N-[[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-sulfonamide?
The IUPAC name of 6-bromo-2-methyl-N-[[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-sulfonamide (CID 166335620) is 6-bromo-2-methyl-N-[[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-sulfonamide.
What is the SMILES notation for 6-bromo-2-methyl-N-[[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-sulfonamide?
The canonical SMILES for 6-bromo-2-methyl-N-[[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-sulfonamide is Cc1nn2cc(Br)cnc2c1S(=O)(=O)NCc1cc(C(F)(F)F)ccc1N1CCN(C)CC1.
What is the InChIKey of 6-bromo-2-methyl-N-[[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-sulfonamide?
The InChIKey is GXCKEQCWZUGQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrF3N6O2S/c1-13-18(19-25-11-16(21)12-30(19)27-13)33(31,32)26-10-14-9-15(20(22,23)24)3-4-17(14)29-7-5-28(2)6-8-29/h3-4,9,11-12,26H,5-8,10H2,1-2H3.
What are the key properties of 6-bromo-2-methyl-N-[[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-sulfonamide?
6-bromo-2-methyl-N-[[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-sulfonamide has a molecular weight of 547.40 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methyl-N-[[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-sulfonamide is sourced from PubChem (CID 166335620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).