3-bromo-5-(2-fluorophenyl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-2-yl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(4-methylsulfonylphenyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-ethyl-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine

C73H64Br3FN16O9S4 — CID 159779761

IUPAC3-bromo-5-(2-fluorophenyl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-2-yl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(4-methylsulfonylphenyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-ethyl-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)c1cc(Nc2ccc(S(C)(=O)=O)cc2)n2ncc(Br)c2n1.CCc1cnn2c(Nc3ccc(S(C)(=O)=O)cc3)cc(-c3ccccc3)nc12.CS(=O)(=O)c1ccc(Nc2cc(-c3ccccc3F)nc3c(Br)cnn23)cc1.CS(=O)(=O)c1ccc(Nc2cc(-c3ccco3)nc3c(Br)cnn23)cc1
InChIInChI=1S/C21H20N4O2S.C19H14BrFN4O2S.C17H13BrN4O3S.C16H17BrN4O2S/c1-3-15-14-22-25-20(23-17-9-11-18(12-10-17)28(2,26)27)13-19(24-21(15)25)16-7-5-4-6-8-16;1-28(26,27)13-8-6-12(7-9-13)23-18-10-17(14-4-2-3-5-16(14)21)24-19-15(20)11-22-25(18)19;1-26(23,24)12-6-4-11(5-7-12)20-16-9-14(15-3-2-8-25-15)21-17-13(18)10-19-22(16)17;1-10(2)14-8-15(21-16(20-14)13(17)9-18-21)19-11-4-6-12(7-5-11)24(3,22)23/h4-14,23H,3H2,1-2H3;2-11,23H,1H3;2-10,20H,1H3;4-10,19H,1-3H3
InChIKeyNHEXWPOIHIQOKS-UHFFFAOYSA-N
MW1696.40 g/mol
LogP16.21
Rot. Bonds17

About 3-bromo-5-(2-fluorophenyl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-2-yl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(4-methylsulfonylphenyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-ethyl-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine

3-bromo-5-(2-fluorophenyl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-2-yl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(4-methylsulfonylphenyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-ethyl-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 159779761) has the molecular formula C73H64Br3FN16O9S4 and a molecular weight of 1696.40 g/mol. Its IUPAC name is 3-bromo-5-(2-fluorophenyl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-2-yl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(4-methylsulfonylphenyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-ethyl-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-bromo-5-(2-fluorophenyl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-2-yl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(4-methylsulfonylphenyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-ethyl-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID159779761
Molecular FormulaC73H64Br3FN16O9S4
Molecular Weight1696.40 g/mol
Exact Mass1692.15
IUPAC Name3-bromo-5-(2-fluorophenyl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-2-yl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(4-methylsulfonylphenyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-ethyl-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)c1cc(Nc2ccc(S(C)(=O)=O)cc2)n2ncc(Br)c2n1.CCc1cnn2c(Nc3ccc(S(C)(=O)=O)cc3)cc(-c3ccccc3)nc12.CS(=O)(=O)c1ccc(Nc2cc(-c3ccccc3F)nc3c(Br)cnn23)cc1.CS(=O)(=O)c1ccc(Nc2cc(-c3ccco3)nc3c(Br)cnn23)cc1
InChIInChI=1S/C21H20N4O2S.C19H14BrFN4O2S.C17H13BrN4O3S.C16H17BrN4O2S/c1-3-15-14-22-25-20(23-17-9-11-18(12-10-17)28(2,26)27)13-19(24-21(15)25)16-7-5-4-6-8-16;1-28(26,27)13-8-6-12(7-9-13)23-18-10-17(14-4-2-3-5-16(14)21)24-19-15(20)11-22-25(18)19;1-26(23,24)12-6-4-11(5-7-12)20-16-9-14(15-3-2-8-25-15)21-17-13(18)10-19-22(16)17;1-10(2)14-8-15(21-16(20-14)13(17)9-18-21)19-11-4-6-12(7-5-11)24(3,22)23/h4-14,23H,3H2,1-2H3;2-11,23H,1H3;2-10,20H,1H3;4-10,19H,1-3H3
InChIKeyNHEXWPOIHIQOKS-UHFFFAOYSA-N
XLogP16.21
TPSA318.58 Ų
H-Bond Donors4
H-Bond Acceptors25
Rotatable Bonds17
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001696.40
LogP ≤ 516.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1025

Analyze 3-bromo-5-(2-fluorophenyl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-2-yl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(4-methylsulfonylphenyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-ethyl-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

benzyl 4-[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;3-bromo-5-(furan-2-yl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-3-yl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-ethyl-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 159245069
3-bromo-5-(2-fluorophenyl)-N-[(1-hydroxypyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-2-yl)-N-[(1-oxidopyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-ethyl-N-[(1-hydroxypyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-ethyl-N-[(1-hydroxypyridin-1-ium-3-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 160385067
3-bromo-N-[(6-ethoxy-1-hydroxypyridin-1-ium-3-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-2-yl)-N-[(1-oxidopyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-ethyl-N-[(1-hydroxypyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-ethyl-N-[(1-hydroxypyridin-1-ium-3-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 161473680
benzyl 3-[3-bromo-7-(pyridin-3-yloxycarbonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;benzyl 4-[3-bromo-7-(pyridin-3-yloxycarbonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;pyridin-3-yl N-[3-bromo-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate;pyridin-3-yl N-(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)carbamate
CID 161778622
3-bromo-N-[(6-ethoxy-1-hydroxypyridin-1-ium-3-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-fluorophenyl)-N-[(1-hydroxypyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-2-yl)-N-[(1-oxidopyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-ethyl-N-[(1-hydroxypyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-ethyl-N-[(1-hydroxypyridin-1-ium-3-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 161985462
1-[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-pyridin-4-ylurea;3-bromo-5-(2-fluorophenyl)-N-(pyridin-4-ylsulfamoyl)pyrazolo[1,5-a]pyrimidin-7-amine;pyridin-3-yl N-[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate;pyridin-3-yl N-[3-bromo-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate
CID 162126932
N-(furan-3-ylmethyl)-1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-amine;methane;3-(4-methylsulfonylphenyl)-N-phenylfuro[3,2-b]pyridin-5-amine;1-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridin-6-amine;1-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyridin-6-amine;7-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-2-amine
CID 167705898

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(2-fluorophenyl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-2-yl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(4-methylsulfonylphenyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-ethyl-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-bromo-5-(2-fluorophenyl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-2-yl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(4-methylsulfonylphenyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-ethyl-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine (CID 159779761) is 3-bromo-5-(2-fluorophenyl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-2-yl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(4-methylsulfonylphenyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-ethyl-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-bromo-5-(2-fluorophenyl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-2-yl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(4-methylsulfonylphenyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-ethyl-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-bromo-5-(2-fluorophenyl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-2-yl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(4-methylsulfonylphenyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-ethyl-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine is CC(C)c1cc(Nc2ccc(S(C)(=O)=O)cc2)n2ncc(Br)c2n1.CCc1cnn2c(Nc3ccc(S(C)(=O)=O)cc3)cc(-c3ccccc3)nc12.CS(=O)(=O)c1ccc(Nc2cc(-c3ccccc3F)nc3c(Br)cnn23)cc1.CS(=O)(=O)c1ccc(Nc2cc(-c3ccco3)nc3c(Br)cnn23)cc1.
What is the InChIKey of 3-bromo-5-(2-fluorophenyl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-2-yl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(4-methylsulfonylphenyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-ethyl-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is NHEXWPOIHIQOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S.C19H14BrFN4O2S.C17H13BrN4O3S.C16H17BrN4O2S/c1-3-15-14-22-25-20(23-17-9-11-18(12-10-17)28(2,26)27)13-19(24-21(15)25)16-7-5-4-6-8-16;1-28(26,27)13-8-6-12(7-9-13)23-18-10-17(14-4-2-3-5-16(14)21)24-19-15(20)11-22-25(18)19;1-26(23,24)12-6-4-11(5-7-12)20-16-9-14(15-3-2-8-25-15)21-17-13(18)10-19-22(16)17;1-10(2)14-8-15(21-16(20-14)13(17)9-18-21)19-11-4-6-12(7-5-11)24(3,22)23/h4-14,23H,3H2,1-2H3;2-11,23H,1H3;2-10,20H,1H3;4-10,19H,1-3H3.
What are the key properties of 3-bromo-5-(2-fluorophenyl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-2-yl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(4-methylsulfonylphenyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-ethyl-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
3-bromo-5-(2-fluorophenyl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-2-yl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(4-methylsulfonylphenyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-ethyl-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 1696.40 g/mol, XLogP of 16.21, 17 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(2-fluorophenyl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-2-yl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(4-methylsulfonylphenyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-ethyl-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 159779761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).