3-bromo-5-(3-methylsulfonylcyclohexyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(1-methylsulfonylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(1-propan-2-ylsulfonylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;4-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-N,N-dimethylpiperidine-1-sulfonamide

C76H92Br4N24O8S4 — CID 158719679

IUPAC3-bromo-5-(3-methylsulfonylcyclohexyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(1-methylsulfonylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(1-propan-2-ylsulfonylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;4-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-N,N-dimethylpiperidine-1-sulfonamide
SMILESCC(C)S(=O)(=O)N1CCC(c2cc(NCc3cccnc3)n3ncc(Br)c3n2)CC1.CN(C)S(=O)(=O)N1CCC(c2cc(NCc3cccnc3)n3ncc(Br)c3n2)CC1.CS(=O)(=O)C1CCCC(c2cc(NCc3cccnc3)n3ncc(Br)c3n2)C1.CS(=O)(=O)N1CCC(c2cc(NCc3cccnc3)n3ncc(Br)c3n2)CC1
InChIInChI=1S/C20H25BrN6O2S.C19H24BrN7O2S.C19H22BrN5O2S.C18H21BrN6O2S/c1-14(2)30(28,29)26-8-5-16(6-9-26)18-10-19(23-12-15-4-3-7-22-11-15)27-20(25-18)17(21)13-24-27;1-25(2)30(28,29)26-8-5-15(6-9-26)17-10-18(22-12-14-4-3-7-21-11-14)27-19(24-17)16(20)13-23-27;1-28(26,27)15-6-2-5-14(8-15)17-9-18(22-11-13-4-3-7-21-10-13)25-19(24-17)16(20)12-23-25;1-28(26,27)24-7-4-14(5-8-24)16-9-17(21-11-13-3-2-6-20-10-13)25-18(23-16)15(19)12-22-25/h3-4,7,10-11,13-14,16,23H,5-6,8-9,12H2,1-2H3;3-4,7,10-11,13,15,22H,5-6,8-9,12H2,1-2H3;3-4,7,9-10,12,14-15,22H,2,5-6,8,11H2,1H3;2-3,6,9-10,12,14,21H,4-5,7-8,11H2,1H3
InChIKeyIJTGZFWGRYDEBA-UHFFFAOYSA-N
MW1917.62 g/mol
LogP12.11
Rot. Bonds22

About 3-bromo-5-(3-methylsulfonylcyclohexyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(1-methylsulfonylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(1-propan-2-ylsulfonylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;4-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-N,N-dimethylpiperidine-1-sulfonamide

3-bromo-5-(3-methylsulfonylcyclohexyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(1-methylsulfonylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(1-propan-2-ylsulfonylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;4-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-N,N-dimethylpiperidine-1-sulfonamide (PubChem CID 158719679) has the molecular formula C76H92Br4N24O8S4 and a molecular weight of 1917.62 g/mol. Its IUPAC name is 3-bromo-5-(3-methylsulfonylcyclohexyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(1-methylsulfonylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(1-propan-2-ylsulfonylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;4-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-N,N-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name3-bromo-5-(3-methylsulfonylcyclohexyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(1-methylsulfonylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(1-propan-2-ylsulfonylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;4-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-N,N-dimethylpiperidine-1-sulfonamide
PubChem CID158719679
Molecular FormulaC76H92Br4N24O8S4
Molecular Weight1917.62 g/mol
Exact Mass1912.31
IUPAC Name3-bromo-5-(3-methylsulfonylcyclohexyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(1-methylsulfonylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(1-propan-2-ylsulfonylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;4-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-N,N-dimethylpiperidine-1-sulfonamide
SMILESCC(C)S(=O)(=O)N1CCC(c2cc(NCc3cccnc3)n3ncc(Br)c3n2)CC1.CN(C)S(=O)(=O)N1CCC(c2cc(NCc3cccnc3)n3ncc(Br)c3n2)CC1.CS(=O)(=O)C1CCCC(c2cc(NCc3cccnc3)n3ncc(Br)c3n2)C1.CS(=O)(=O)N1CCC(c2cc(NCc3cccnc3)n3ncc(Br)c3n2)CC1
InChIInChI=1S/C20H25BrN6O2S.C19H24BrN7O2S.C19H22BrN5O2S.C18H21BrN6O2S/c1-14(2)30(28,29)26-8-5-16(6-9-26)18-10-19(23-12-15-4-3-7-22-11-15)27-20(25-18)17(21)13-24-27;1-25(2)30(28,29)26-8-5-15(6-9-26)17-10-18(22-12-14-4-3-7-21-11-14)27-19(24-17)16(20)13-23-27;1-28(26,27)15-6-2-5-14(8-15)17-9-18(22-11-13-4-3-7-21-10-13)25-19(24-17)16(20)12-23-25;1-28(26,27)24-7-4-14(5-8-24)16-9-17(21-11-13-3-2-6-20-10-13)25-18(23-16)15(19)12-22-25/h3-4,7,10-11,13-14,16,23H,5-6,8-9,12H2,1-2H3;3-4,7,10-11,13,15,22H,5-6,8-9,12H2,1-2H3;3-4,7,9-10,12,14-15,22H,2,5-6,8,11H2,1H3;2-3,6,9-10,12,14,21H,4-5,7-8,11H2,1H3
InChIKeyIJTGZFWGRYDEBA-UHFFFAOYSA-N
XLogP12.11
TPSA369.96 Ų
H-Bond Donors4
H-Bond Acceptors28
Rotatable Bonds22
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001917.62
LogP ≤ 512.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1028

Analyze 3-bromo-5-(3-methylsulfonylcyclohexyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(1-methylsulfonylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(1-propan-2-ylsulfonylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;4-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-N,N-dimethylpiperidine-1-sulfonamide with MolForge

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Related Compounds

5-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-6-methylsulfonyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-methylsulfonyl-3-(6-phenyl-3-pyridinyl)-5-[(1S,5R)-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 158538668
N-[[1-cyclopropyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide;[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]methanesulfonamide;N-[1-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]ethyl]methanesulfonamide;N-[[3-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide
CID 158614976
bis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2-methylpiperidin-3-yl]methyl]methanesulfonamide);N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-6-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-(3-fluoroazetidin-1-yl)piperidin-3-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[3-(methylsulfonylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine
CID 159585241
3-bromo-5-[1-(2-methylsulfonylphenyl)sulfonylpiperidin-4-yl]-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066492
3-bromo-5-[1-(4-methylsulfonylphenyl)sulfonylpiperidin-3-yl]-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066569
3-bromo-5-[1-(4-methylsulfonylphenyl)sulfonylpiperidin-4-yl]-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066570
3-bromo-5-(1-propan-2-ylsulfonylpiperidin-3-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066606
3-bromo-5-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-3-yl]-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21067159
3-bromo-5-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21067160
6-Bromo-5-(1-ethylsulfonylpiperidin-4-yl)-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 58173371
3-bromo-5-(3-methylsulfonylcyclohexyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 58812670
6-Bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 68074243

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(3-methylsulfonylcyclohexyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(1-methylsulfonylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(1-propan-2-ylsulfonylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;4-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-N,N-dimethylpiperidine-1-sulfonamide?
The IUPAC name of 3-bromo-5-(3-methylsulfonylcyclohexyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(1-methylsulfonylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(1-propan-2-ylsulfonylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;4-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-N,N-dimethylpiperidine-1-sulfonamide (CID 158719679) is 3-bromo-5-(3-methylsulfonylcyclohexyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(1-methylsulfonylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(1-propan-2-ylsulfonylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;4-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-N,N-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for 3-bromo-5-(3-methylsulfonylcyclohexyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(1-methylsulfonylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(1-propan-2-ylsulfonylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;4-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-N,N-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for 3-bromo-5-(3-methylsulfonylcyclohexyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(1-methylsulfonylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(1-propan-2-ylsulfonylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;4-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-N,N-dimethylpiperidine-1-sulfonamide is CC(C)S(=O)(=O)N1CCC(c2cc(NCc3cccnc3)n3ncc(Br)c3n2)CC1.CN(C)S(=O)(=O)N1CCC(c2cc(NCc3cccnc3)n3ncc(Br)c3n2)CC1.CS(=O)(=O)C1CCCC(c2cc(NCc3cccnc3)n3ncc(Br)c3n2)C1.CS(=O)(=O)N1CCC(c2cc(NCc3cccnc3)n3ncc(Br)c3n2)CC1.
What is the InChIKey of 3-bromo-5-(3-methylsulfonylcyclohexyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(1-methylsulfonylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(1-propan-2-ylsulfonylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;4-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-N,N-dimethylpiperidine-1-sulfonamide?
The InChIKey is IJTGZFWGRYDEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN6O2S.C19H24BrN7O2S.C19H22BrN5O2S.C18H21BrN6O2S/c1-14(2)30(28,29)26-8-5-16(6-9-26)18-10-19(23-12-15-4-3-7-22-11-15)27-20(25-18)17(21)13-24-27;1-25(2)30(28,29)26-8-5-15(6-9-26)17-10-18(22-12-14-4-3-7-21-11-14)27-19(24-17)16(20)13-23-27;1-28(26,27)15-6-2-5-14(8-15)17-9-18(22-11-13-4-3-7-21-10-13)25-19(24-17)16(20)12-23-25;1-28(26,27)24-7-4-14(5-8-24)16-9-17(21-11-13-3-2-6-20-10-13)25-18(23-16)15(19)12-22-25/h3-4,7,10-11,13-14,16,23H,5-6,8-9,12H2,1-2H3;3-4,7,10-11,13,15,22H,5-6,8-9,12H2,1-2H3;3-4,7,9-10,12,14-15,22H,2,5-6,8,11H2,1H3;2-3,6,9-10,12,14,21H,4-5,7-8,11H2,1H3.
What are the key properties of 3-bromo-5-(3-methylsulfonylcyclohexyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(1-methylsulfonylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(1-propan-2-ylsulfonylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;4-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-N,N-dimethylpiperidine-1-sulfonamide?
3-bromo-5-(3-methylsulfonylcyclohexyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(1-methylsulfonylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(1-propan-2-ylsulfonylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;4-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-N,N-dimethylpiperidine-1-sulfonamide has a molecular weight of 1917.62 g/mol, XLogP of 12.11, 22 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(3-methylsulfonylcyclohexyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(1-methylsulfonylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(1-propan-2-ylsulfonylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;4-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-N,N-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 158719679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).