3-bromo-N-[(4-methylsulfonylphenyl)methyl]-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;4-[[(3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]benzenesulfonamide;3-bromo-5-piperidin-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-4-yl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine

C74H82Br4N24O4S3 — CID 158054546

IUPAC3-bromo-N-[(4-methylsulfonylphenyl)methyl]-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;4-[[(3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]benzenesulfonamide;3-bromo-5-piperidin-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-4-yl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESBrc1cnn2c(NCc3ccc(-c4csnn4)cc3)cc(C3CCNCC3)nc12.Brc1cnn2c(NCc3cccnc3)cc(C3CCCCN3)nc12.CS(=O)(=O)c1ccc(CNc2cc(C3CCNCC3)nc3c(Br)cnn23)cc1.NS(=O)(=O)c1ccc(CNc2cc(C3CCNCC3)nc3c(Br)cnn23)cc1
InChIInChI=1S/C20H20BrN7S.C19H22BrN5O2S.C18H21BrN6O2S.C17H19BrN6/c21-16-11-24-28-19(9-17(25-20(16)28)15-5-7-22-8-6-15)23-10-13-1-3-14(4-2-13)18-12-29-27-26-18;1-28(26,27)15-4-2-13(3-5-15)11-22-18-10-17(14-6-8-21-9-7-14)24-19-16(20)12-23-25(18)19;19-15-11-23-25-17(9-16(24-18(15)25)13-5-7-21-8-6-13)22-10-12-1-3-14(4-2-12)28(20,26)27;18-13-11-22-24-16(21-10-12-4-3-6-19-9-12)8-15(23-17(13)24)14-5-1-2-7-20-14/h1-4,9,11-12,15,22-23H,5-8,10H2;2-5,10,12,14,21-22H,6-9,11H2,1H3;1-4,9,11,13,21-22H,5-8,10H2,(H2,20,26,27);3-4,6,8-9,11,14,20-21H,1-2,5,7,10H2
InChIKeyFJWNTJHFWCIKHU-UHFFFAOYSA-N
MW1787.45 g/mol
LogP12.60
Rot. Bonds19

About 3-bromo-N-[(4-methylsulfonylphenyl)methyl]-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;4-[[(3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]benzenesulfonamide;3-bromo-5-piperidin-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-4-yl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine

3-bromo-N-[(4-methylsulfonylphenyl)methyl]-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;4-[[(3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]benzenesulfonamide;3-bromo-5-piperidin-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-4-yl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 158054546) has the molecular formula C74H82Br4N24O4S3 and a molecular weight of 1787.45 g/mol. Its IUPAC name is 3-bromo-N-[(4-methylsulfonylphenyl)methyl]-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;4-[[(3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]benzenesulfonamide;3-bromo-5-piperidin-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-4-yl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-bromo-N-[(4-methylsulfonylphenyl)methyl]-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;4-[[(3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]benzenesulfonamide;3-bromo-5-piperidin-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-4-yl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID158054546
Molecular FormulaC74H82Br4N24O4S3
Molecular Weight1787.45 g/mol
Exact Mass1782.28
IUPAC Name3-bromo-N-[(4-methylsulfonylphenyl)methyl]-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;4-[[(3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]benzenesulfonamide;3-bromo-5-piperidin-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-4-yl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESBrc1cnn2c(NCc3ccc(-c4csnn4)cc3)cc(C3CCNCC3)nc12.Brc1cnn2c(NCc3cccnc3)cc(C3CCCCN3)nc12.CS(=O)(=O)c1ccc(CNc2cc(C3CCNCC3)nc3c(Br)cnn23)cc1.NS(=O)(=O)c1ccc(CNc2cc(C3CCNCC3)nc3c(Br)cnn23)cc1
InChIInChI=1S/C20H20BrN7S.C19H22BrN5O2S.C18H21BrN6O2S.C17H19BrN6/c21-16-11-24-28-19(9-17(25-20(16)28)15-5-7-22-8-6-15)23-10-13-1-3-14(4-2-13)18-12-29-27-26-18;1-28(26,27)15-4-2-13(3-5-15)11-22-18-10-17(14-6-8-21-9-7-14)24-19-16(20)12-23-25(18)19;19-15-11-23-25-17(9-16(24-18(15)25)13-5-7-21-8-6-13)22-10-12-1-3-14(4-2-12)28(20,26)27;18-13-11-22-24-16(21-10-12-4-3-6-19-9-12)8-15(23-17(13)24)14-5-1-2-7-20-14/h1-4,9,11-12,15,22-23H,5-8,10H2;2-5,10,12,14,21-22H,6-9,11H2,1H3;1-4,9,11,13,21-22H,5-8,10H2,(H2,20,26,27);3-4,6,8-9,11,14,20-21H,1-2,5,7,10H2
InChIKeyFJWNTJHFWCIKHU-UHFFFAOYSA-N
XLogP12.60
TPSA349.97 Ų
H-Bond Donors9
H-Bond Acceptors28
Rotatable Bonds19
Heavy Atoms109
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001787.45
LogP ≤ 512.60
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1028

Analyze 3-bromo-N-[(4-methylsulfonylphenyl)methyl]-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;4-[[(3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]benzenesulfonamide;3-bromo-5-piperidin-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-4-yl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine 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,N'-bis[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-pyridin-2-yl-N'-(pyridin-2-ylmethyl)methanediamine
CID 68775754
4-(7-Amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzonitrile;6-bromo-5-piperidin-3-yl-3-(1,3-thiazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 143656303
4-[3-[3-[4-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]sulfonylbutylidene-lambda3-bromanyl]-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-N,N-dimethylpiperidine-1-sulfonamide
CID 145500772
3-bromo-5-cyclohexyl-N-[[4-(4,5-dihydrothiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-cyclohexyl-N-[(1-oxidopyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-cyclohexyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2,4-dichlorophenyl)-N-[(1-oxidopyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-oxidopyridin-1-ium-3-yl)methyl]-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane
CID 157057737
3-bromo-5-(2-fluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-fluorophenyl)-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 157166204
[(1S,2R)-2-[[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-bis(2-hydroxyethyl)benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(1,3-dihydroxypropan-2-yl)benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-[3-(dimethylamino)propyl]benzenesulfonamide
CID 157199872
N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-3-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-4-yl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 157236333
bis(5-[(4-aminocyclohexyl)methyl]-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-7-amine);5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,4-diazepan-1-yl)-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 157781354
3-bromo-N-[(1-oxidopyridin-1-ium-3-yl)methyl]-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-3-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-4-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-4-yl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 158001222
N-benzyl-2-(3-methylsulfonylphenyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(6-methyl-3-pyridinyl)-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyrimidin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(3-methylsulfonylphenyl)-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 158016965
3-bromo-5-(2-bromophenyl)-N-[(1-oxidopyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-fluorophenyl)-N-[(1-hydroxy-6-methylpyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;4-[[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-N-[2-(dimethylamino)ethyl]benzenesulfonamide;5-cyclohexyl-3-ethyl-N-[(1-hydroxypyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 158194792

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(4-methylsulfonylphenyl)methyl]-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;4-[[(3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]benzenesulfonamide;3-bromo-5-piperidin-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-4-yl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-bromo-N-[(4-methylsulfonylphenyl)methyl]-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;4-[[(3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]benzenesulfonamide;3-bromo-5-piperidin-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-4-yl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 158054546) is 3-bromo-N-[(4-methylsulfonylphenyl)methyl]-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;4-[[(3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]benzenesulfonamide;3-bromo-5-piperidin-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-4-yl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-bromo-N-[(4-methylsulfonylphenyl)methyl]-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;4-[[(3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]benzenesulfonamide;3-bromo-5-piperidin-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-4-yl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-bromo-N-[(4-methylsulfonylphenyl)methyl]-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;4-[[(3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]benzenesulfonamide;3-bromo-5-piperidin-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-4-yl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine is Brc1cnn2c(NCc3ccc(-c4csnn4)cc3)cc(C3CCNCC3)nc12.Brc1cnn2c(NCc3cccnc3)cc(C3CCCCN3)nc12.CS(=O)(=O)c1ccc(CNc2cc(C3CCNCC3)nc3c(Br)cnn23)cc1.NS(=O)(=O)c1ccc(CNc2cc(C3CCNCC3)nc3c(Br)cnn23)cc1.
What is the InChIKey of 3-bromo-N-[(4-methylsulfonylphenyl)methyl]-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;4-[[(3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]benzenesulfonamide;3-bromo-5-piperidin-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-4-yl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is FJWNTJHFWCIKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN7S.C19H22BrN5O2S.C18H21BrN6O2S.C17H19BrN6/c21-16-11-24-28-19(9-17(25-20(16)28)15-5-7-22-8-6-15)23-10-13-1-3-14(4-2-13)18-12-29-27-26-18;1-28(26,27)15-4-2-13(3-5-15)11-22-18-10-17(14-6-8-21-9-7-14)24-19-16(20)12-23-25(18)19;19-15-11-23-25-17(9-16(24-18(15)25)13-5-7-21-8-6-13)22-10-12-1-3-14(4-2-12)28(20,26)27;18-13-11-22-24-16(21-10-12-4-3-6-19-9-12)8-15(23-17(13)24)14-5-1-2-7-20-14/h1-4,9,11-12,15,22-23H,5-8,10H2;2-5,10,12,14,21-22H,6-9,11H2,1H3;1-4,9,11,13,21-22H,5-8,10H2,(H2,20,26,27);3-4,6,8-9,11,14,20-21H,1-2,5,7,10H2.
What are the key properties of 3-bromo-N-[(4-methylsulfonylphenyl)methyl]-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;4-[[(3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]benzenesulfonamide;3-bromo-5-piperidin-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-4-yl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
3-bromo-N-[(4-methylsulfonylphenyl)methyl]-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;4-[[(3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]benzenesulfonamide;3-bromo-5-piperidin-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-4-yl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 1787.45 g/mol, XLogP of 12.60, 19 rotatable bonds, 9 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(4-methylsulfonylphenyl)methyl]-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;4-[[(3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]benzenesulfonamide;3-bromo-5-piperidin-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-4-yl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 158054546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).