4-[(3-bromo-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide;N,N-dimethyl-4-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide

C42H41BrN10O4S2 — CID 158614250

IUPAC4-[(3-bromo-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide;N,N-dimethyl-4-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide
SMILESCc1cc2nc(-c3ccccc3)cc(Nc3ccc(S(=O)(=O)N(C)C)cc3)n2n1.Cc1nn2c(Nc3ccc(S(=O)(=O)N(C)C)cc3)cc(-c3ccccc3)nc2c1Br
InChIInChI=1S/C21H20BrN5O2S.C21H21N5O2S/c1-14-20(22)21-24-18(15-7-5-4-6-8-15)13-19(27(21)25-14)23-16-9-11-17(12-10-16)30(28,29)26(2)3;1-15-13-20-23-19(16-7-5-4-6-8-16)14-21(26(20)24-15)22-17-9-11-18(12-10-17)29(27,28)25(2)3/h4-13,23H,1-3H3;4-14,22H,1-3H3
InChIKeyHXEVECIULWDPQU-UHFFFAOYSA-N
MW893.89 g/mol
LogP8.16
Rot. Bonds10

About 4-[(3-bromo-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide;N,N-dimethyl-4-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide

4-[(3-bromo-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide;N,N-dimethyl-4-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide (PubChem CID 158614250) has the molecular formula C42H41BrN10O4S2 and a molecular weight of 893.89 g/mol. Its IUPAC name is 4-[(3-bromo-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide;N,N-dimethyl-4-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(3-bromo-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide;N,N-dimethyl-4-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide
PubChem CID158614250
Molecular FormulaC42H41BrN10O4S2
Molecular Weight893.89 g/mol
Exact Mass892.19
IUPAC Name4-[(3-bromo-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide;N,N-dimethyl-4-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide
SMILESCc1cc2nc(-c3ccccc3)cc(Nc3ccc(S(=O)(=O)N(C)C)cc3)n2n1.Cc1nn2c(Nc3ccc(S(=O)(=O)N(C)C)cc3)cc(-c3ccccc3)nc2c1Br
InChIInChI=1S/C21H20BrN5O2S.C21H21N5O2S/c1-14-20(22)21-24-18(15-7-5-4-6-8-15)13-19(27(21)25-14)23-16-9-11-17(12-10-16)30(28,29)26(2)3;1-15-13-20-23-19(16-7-5-4-6-8-16)14-21(26(20)24-15)22-17-9-11-18(12-10-17)29(27,28)25(2)3/h4-13,23H,1-3H3;4-14,22H,1-3H3
InChIKeyHXEVECIULWDPQU-UHFFFAOYSA-N
XLogP8.16
TPSA159.20 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500893.89
LogP ≤ 58.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 4-[(3-bromo-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide;N,N-dimethyl-4-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide with MolForge

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Related Compounds

3-[6-[(4-aminocyclohexyl)amino]-8-(4-pyrrolidin-1-ylsulfonylanilino)imidazo[1,2-b]pyridazin-3-yl]-N,N-dimethylbenzenesulfonamide
CID 172466882
4-[6-(4-Bromophenyl)-3-phenyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]benzenesulfonamide
CID 76313190
2-cyclopropyl-5-(2-fluorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 58662246
N,N-dimethyl-4-[[2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide
CID 58662283
N,N-dimethyl-4-[[2-methyl-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide
CID 58662308
4-[[2-cyclopropyl-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-N,N-dimethylbenzenesulfonamide
CID 58662310
4-[[5-(3-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-N,N-dimethylbenzenesulfonamide
CID 58662312
4-[[5-(2-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-N,N-dimethylbenzenesulfonamide
CID 58662323
4-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(4-methylphenyl)benzenesulfonamide
CID 162649506
N-[4-[4-(6-benzyl-3-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 46132351
4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-[3-(dimethylamino)propyl]benzenesulfonamide
CID 9806972
4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 10007325

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromo-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide;N,N-dimethyl-4-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide?
The IUPAC name of 4-[(3-bromo-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide;N,N-dimethyl-4-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide (CID 158614250) is 4-[(3-bromo-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide;N,N-dimethyl-4-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide.
What is the SMILES notation for 4-[(3-bromo-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide;N,N-dimethyl-4-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide?
The canonical SMILES for 4-[(3-bromo-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide;N,N-dimethyl-4-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide is Cc1cc2nc(-c3ccccc3)cc(Nc3ccc(S(=O)(=O)N(C)C)cc3)n2n1.Cc1nn2c(Nc3ccc(S(=O)(=O)N(C)C)cc3)cc(-c3ccccc3)nc2c1Br.
What is the InChIKey of 4-[(3-bromo-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide;N,N-dimethyl-4-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide?
The InChIKey is HXEVECIULWDPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrN5O2S.C21H21N5O2S/c1-14-20(22)21-24-18(15-7-5-4-6-8-15)13-19(27(21)25-14)23-16-9-11-17(12-10-16)30(28,29)26(2)3;1-15-13-20-23-19(16-7-5-4-6-8-16)14-21(26(20)24-15)22-17-9-11-18(12-10-17)29(27,28)25(2)3/h4-13,23H,1-3H3;4-14,22H,1-3H3.
What are the key properties of 4-[(3-bromo-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide;N,N-dimethyl-4-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide?
4-[(3-bromo-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide;N,N-dimethyl-4-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide has a molecular weight of 893.89 g/mol, XLogP of 8.16, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromo-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide;N,N-dimethyl-4-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide is sourced from PubChem (CID 158614250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).