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

C24H26N6O2S — CID 143251460

IUPAC4-[(3-cyano-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide;ethane
SMILESCC.Cc1nn2c(Nc3ccc(S(=O)(=O)N(C)C)cc3)cc(-c3ccccc3)nc2c1C#N
InChIInChI=1S/C22H20N6O2S.C2H6/c1-15-19(14-23)22-25-20(16-7-5-4-6-8-16)13-21(28(22)26-15)24-17-9-11-18(12-10-17)31(29,30)27(2)3;1-2/h4-13,24H,1-3H3;1-2H3
InChIKeyMNDUIVHITQVQFW-UHFFFAOYSA-N
MW462.58 g/mol
LogP4.60
Rot. Bonds5

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

4-[(3-cyano-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide;ethane (PubChem CID 143251460) has the molecular formula C24H26N6O2S and a molecular weight of 462.58 g/mol. Its IUPAC name is 4-[(3-cyano-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide;ethane.

Molecular Properties

Compound Name4-[(3-cyano-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide;ethane
PubChem CID143251460
Molecular FormulaC24H26N6O2S
Molecular Weight462.58 g/mol
Exact Mass462.18
IUPAC Name4-[(3-cyano-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide;ethane
SMILESCC.Cc1nn2c(Nc3ccc(S(=O)(=O)N(C)C)cc3)cc(-c3ccccc3)nc2c1C#N
InChIInChI=1S/C22H20N6O2S.C2H6/c1-15-19(14-23)22-25-20(16-7-5-4-6-8-16)13-21(28(22)26-15)24-17-9-11-18(12-10-17)31(29,30)27(2)3;1-2/h4-13,24H,1-3H3;1-2H3
InChIKeyMNDUIVHITQVQFW-UHFFFAOYSA-N
XLogP4.60
TPSA103.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.58
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(3-chloro-2-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide
CID 11719694
4-[(5-chloro-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide
CID 58662247
4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N'-methylbenzenesulfonohydrazide
CID 71192931
4-[(2-cyclopropyl-5-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide
CID 58662375
N-(1,3-dihydroxypropan-2-yl)-4-[(3-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide
CID 71192990
4-[[3-bromo-5-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-N,N-dimethylbenzenesulfonamide
CID 11533558
3-bromo-N-(4-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 118131950
ethane;N-methyl-4-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzamide
CID 143251437
N-(2-aminoethyl)-4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide
CID 10480592
1-(4-methylsulfonylanilino)-3-(trifluoromethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 155533975
7-(4-cyanoanilino)-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 137480972
CID 89357786
CID 89357786

Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyano-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide;ethane?
The IUPAC name of 4-[(3-cyano-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide;ethane (CID 143251460) is 4-[(3-cyano-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide;ethane.
What is the SMILES notation for 4-[(3-cyano-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide;ethane?
The canonical SMILES for 4-[(3-cyano-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide;ethane is CC.Cc1nn2c(Nc3ccc(S(=O)(=O)N(C)C)cc3)cc(-c3ccccc3)nc2c1C#N.
What is the InChIKey of 4-[(3-cyano-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide;ethane?
The InChIKey is MNDUIVHITQVQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O2S.C2H6/c1-15-19(14-23)22-25-20(16-7-5-4-6-8-16)13-21(28(22)26-15)24-17-9-11-18(12-10-17)31(29,30)27(2)3;1-2/h4-13,24H,1-3H3;1-2H3.
What are the key properties of 4-[(3-cyano-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide;ethane?
4-[(3-cyano-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide;ethane has a molecular weight of 462.58 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-cyano-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide;ethane is sourced from PubChem (CID 143251460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).