4-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazol-2-amine;7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C24H23F6N7O4S2 — CID 162622073

IUPAC4-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazol-2-amine;7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCc1nc(N)sc1S(=O)(=O)N1CCN(C)CC1.O=C(O)c1cnn2c(C(F)(F)F)cc(-c3ccc(C(F)(F)F)cc3)nc12
InChIInChI=1S/C15H7F6N3O2.C9H16N4O2S2/c16-14(17,18)8-3-1-7(2-4-8)10-5-11(15(19,20)21)24-12(23-10)9(6-22-24)13(25)26;1-7-8(16-9(10)11-7)17(14,15)13-5-3-12(2)4-6-13/h1-6H,(H,25,26);3-6H2,1-2H3,(H2,10,11)
InChIKeyHQSUQGFTBLGTEQ-UHFFFAOYSA-N
MW651.62 g/mol
LogP4.10
Rot. Bonds4

About 4-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazol-2-amine;7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

4-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazol-2-amine;7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 162622073) has the molecular formula C24H23F6N7O4S2 and a molecular weight of 651.62 g/mol. Its IUPAC name is 4-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazol-2-amine;7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazol-2-amine;7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID162622073
Molecular FormulaC24H23F6N7O4S2
Molecular Weight651.62 g/mol
Exact Mass651.12
IUPAC Name4-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazol-2-amine;7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCc1nc(N)sc1S(=O)(=O)N1CCN(C)CC1.O=C(O)c1cnn2c(C(F)(F)F)cc(-c3ccc(C(F)(F)F)cc3)nc12
InChIInChI=1S/C15H7F6N3O2.C9H16N4O2S2/c16-14(17,18)8-3-1-7(2-4-8)10-5-11(15(19,20)21)24-12(23-10)9(6-22-24)13(25)26;1-7-8(16-9(10)11-7)17(14,15)13-5-3-12(2)4-6-13/h1-6H,(H,25,26);3-6H2,1-2H3,(H2,10,11)
InChIKeyHQSUQGFTBLGTEQ-UHFFFAOYSA-N
XLogP4.10
TPSA147.02 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500651.62
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

N-[2-chloro-5-(4-methylpiperazin-1-yl)sulfonylthiophen-3-yl]-7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 11997909
7-(difluoromethyl)-N-[5-(3-hydroxypyrrolidin-1-yl)sulfonyl-4-methyl-1,3-thiazol-2-yl]-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 73173211
4-amino-5-methylthiophene-2-sulfonamide;7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 162621802
2-amino-1,3-thiazole-5-sulfonamide;7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 171925988
(4-methylpiperazin-1-yl)-[5-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 147994914
5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 650903
[5-[4-(4-methylpiperazin-1-yl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-morpholin-4-ylmethanone
CID 147820406
7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]-N-[3-(trifluoromethylsulfonyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 11585073
5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 6945421
[5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 15998029
methyl 5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 673655
(2-methoxy-2-oxoethyl) 5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 46266155

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazol-2-amine;7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 4-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazol-2-amine;7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 162622073) is 4-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazol-2-amine;7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazol-2-amine;7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 4-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazol-2-amine;7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is Cc1nc(N)sc1S(=O)(=O)N1CCN(C)CC1.O=C(O)c1cnn2c(C(F)(F)F)cc(-c3ccc(C(F)(F)F)cc3)nc12.
What is the InChIKey of 4-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazol-2-amine;7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is HQSUQGFTBLGTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7F6N3O2.C9H16N4O2S2/c16-14(17,18)8-3-1-7(2-4-8)10-5-11(15(19,20)21)24-12(23-10)9(6-22-24)13(25)26;1-7-8(16-9(10)11-7)17(14,15)13-5-3-12(2)4-6-13/h1-6H,(H,25,26);3-6H2,1-2H3,(H2,10,11).
What are the key properties of 4-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazol-2-amine;7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
4-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazol-2-amine;7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 651.62 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazol-2-amine;7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 162622073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).