4-(7-amino-5-cyclohexylpyrazolo[1,5-a]pyrimidin-3-yl)-N,N-dimethylbenzenesulfonamide;[4-(7-amino-5-cyclohexylpyrazolo[1,5-a]pyrimidin-3-yl)phenyl]methanol;5-cyclohexyl-3-[6-(dimethylamino)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-amine

C58H71N15O3S — CID 123404329

IUPAC4-(7-amino-5-cyclohexylpyrazolo[1,5-a]pyrimidin-3-yl)-N,N-dimethylbenzenesulfonamide;[4-(7-amino-5-cyclohexylpyrazolo[1,5-a]pyrimidin-3-yl)phenyl]methanol;5-cyclohexyl-3-[6-(dimethylamino)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCN(C)S(=O)(=O)c1ccc(-c2cnn3c(N)cc(C4CCCCC4)nc23)cc1.CN(C)c1ccc(-c2cnn3c(N)cc(C4CCCCC4)nc23)cn1.Nc1cc(C2CCCCC2)nc2c(-c3ccc(CO)cc3)cnn12
InChIInChI=1S/C20H25N5O2S.C19H24N6.C19H22N4O/c1-24(2)28(26,27)16-10-8-14(9-11-16)17-13-22-25-19(21)12-18(23-20(17)25)15-6-4-3-5-7-15;1-24(2)18-9-8-14(11-21-18)15-12-22-25-17(20)10-16(23-19(15)25)13-6-4-3-5-7-13;20-18-10-17(15-4-2-1-3-5-15)22-19-16(11-21-23(18)19)14-8-6-13(12-24)7-9-14/h8-13,15H,3-7,21H2,1-2H3;8-13H,3-7,20H2,1-2H3;6-11,15,24H,1-5,12,20H2
InChIKeyVJSZXUNPLORHPK-UHFFFAOYSA-N
MW1058.37 g/mol
LogP10.28
Rot. Bonds10

About 4-(7-amino-5-cyclohexylpyrazolo[1,5-a]pyrimidin-3-yl)-N,N-dimethylbenzenesulfonamide;[4-(7-amino-5-cyclohexylpyrazolo[1,5-a]pyrimidin-3-yl)phenyl]methanol;5-cyclohexyl-3-[6-(dimethylamino)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-amine

4-(7-amino-5-cyclohexylpyrazolo[1,5-a]pyrimidin-3-yl)-N,N-dimethylbenzenesulfonamide;[4-(7-amino-5-cyclohexylpyrazolo[1,5-a]pyrimidin-3-yl)phenyl]methanol;5-cyclohexyl-3-[6-(dimethylamino)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 123404329) has the molecular formula C58H71N15O3S and a molecular weight of 1058.37 g/mol. Its IUPAC name is 4-(7-amino-5-cyclohexylpyrazolo[1,5-a]pyrimidin-3-yl)-N,N-dimethylbenzenesulfonamide;[4-(7-amino-5-cyclohexylpyrazolo[1,5-a]pyrimidin-3-yl)phenyl]methanol;5-cyclohexyl-3-[6-(dimethylamino)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name4-(7-amino-5-cyclohexylpyrazolo[1,5-a]pyrimidin-3-yl)-N,N-dimethylbenzenesulfonamide;[4-(7-amino-5-cyclohexylpyrazolo[1,5-a]pyrimidin-3-yl)phenyl]methanol;5-cyclohexyl-3-[6-(dimethylamino)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID123404329
Molecular FormulaC58H71N15O3S
Molecular Weight1058.37 g/mol
Exact Mass1057.56
IUPAC Name4-(7-amino-5-cyclohexylpyrazolo[1,5-a]pyrimidin-3-yl)-N,N-dimethylbenzenesulfonamide;[4-(7-amino-5-cyclohexylpyrazolo[1,5-a]pyrimidin-3-yl)phenyl]methanol;5-cyclohexyl-3-[6-(dimethylamino)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCN(C)S(=O)(=O)c1ccc(-c2cnn3c(N)cc(C4CCCCC4)nc23)cc1.CN(C)c1ccc(-c2cnn3c(N)cc(C4CCCCC4)nc23)cn1.Nc1cc(C2CCCCC2)nc2c(-c3ccc(CO)cc3)cnn12
InChIInChI=1S/C20H25N5O2S.C19H24N6.C19H22N4O/c1-24(2)28(26,27)16-10-8-14(9-11-16)17-13-22-25-19(21)12-18(23-20(17)25)15-6-4-3-5-7-15;1-24(2)18-9-8-14(11-21-18)15-12-22-25-17(20)10-16(23-19(15)25)13-6-4-3-5-7-13;20-18-10-17(15-4-2-1-3-5-15)22-19-16(11-21-23(18)19)14-8-6-13(12-24)7-9-14/h8-13,15H,3-7,21H2,1-2H3;8-13H,3-7,20H2,1-2H3;6-11,15,24H,1-5,12,20H2
InChIKeyVJSZXUNPLORHPK-UHFFFAOYSA-N
XLogP10.28
TPSA242.37 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds10
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001058.37
LogP ≤ 510.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Analyze 4-(7-amino-5-cyclohexylpyrazolo[1,5-a]pyrimidin-3-yl)-N,N-dimethylbenzenesulfonamide;[4-(7-amino-5-cyclohexylpyrazolo[1,5-a]pyrimidin-3-yl)phenyl]methanol;5-cyclohexyl-3-[6-(dimethylamino)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

4-tert-butyl-N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)benzenesulfonamide;N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-4-(hydroxymethyl)benzenesulfonamide;bis(N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-4-methylbenzenesulfonamide);N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 159112257
2-[4-[3-Methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]propan-2-ol
CID 67362719
4-(hydroxymethyl)-N-(2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)benzenesulfonamide
CID 124168979
2-N-[(2S)-1-[3-(aminomethyl)phenyl]propan-2-yl]-4-N-methyl-4-N-(7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)pyrimidine-2,4-diamine;[3-[(2S)-2-[[4-[methyl-(7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)amino]pyrimidin-2-yl]amino]propyl]phenyl]methanol
CID 158375356
2-N-[1-[3-(aminomethyl)phenyl]propan-2-yl]-4-N-methyl-4-N-(7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)pyrimidine-2,4-diamine;[3-[2-[[4-[methyl-(7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)amino]pyrimidin-2-yl]amino]propyl]phenyl]methanol
CID 158375357
4-tert-butyl-N-(2-ethylpyrazolo[1,5-a]pyrimidin-7-yl)benzenesulfonamide;4-tert-butyl-N-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)benzenesulfonamide;4-tert-butyl-N-(2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)benzenesulfonamide
CID 160033320
[3-(2-aminopropyl)phenyl]methanol;N-methyl-N-(2-methylsulfinylpyrimidin-4-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;N-methyl-N-(2-methylsulfonylpyrimidin-4-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;[3-[2-[[4-[methyl-(7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)amino]pyrimidin-2-yl]amino]propyl]phenyl]methanol
CID 160051667
N-[(4-chlorophenyl)methyl]-3-(1,3-dimethylindazol-5-yl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;[4-[[[3-(1,3-dimethylindazol-5-yl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]methanol;3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 160915466
4-[2-(Butylamino)-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;4-[2-(butylamino)-5-(4-morpholin-4-ylsulfonylphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;4-[6-(butylamino)-3-(4-piperidin-1-ylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol;methane
CID 161650721
[3-[(2S)-2-aminopropyl]phenyl]methanol;N-methyl-N-(2-methylsulfonylpyrimidin-4-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;[3-[2-[[4-[methyl-(7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)amino]pyrimidin-2-yl]amino]propyl]phenyl]methanol
CID 161831651
4-[6-(Butylamino)-3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol;4-[6-(butylamino)-3-[4-(4-piperidin-1-ylpiperidin-1-yl)sulfonylphenyl]pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol
CID 162208488
[6-[Methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]methanol
CID 164822064

Frequently Asked Questions

What is the IUPAC name of 4-(7-amino-5-cyclohexylpyrazolo[1,5-a]pyrimidin-3-yl)-N,N-dimethylbenzenesulfonamide;[4-(7-amino-5-cyclohexylpyrazolo[1,5-a]pyrimidin-3-yl)phenyl]methanol;5-cyclohexyl-3-[6-(dimethylamino)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 4-(7-amino-5-cyclohexylpyrazolo[1,5-a]pyrimidin-3-yl)-N,N-dimethylbenzenesulfonamide;[4-(7-amino-5-cyclohexylpyrazolo[1,5-a]pyrimidin-3-yl)phenyl]methanol;5-cyclohexyl-3-[6-(dimethylamino)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 123404329) is 4-(7-amino-5-cyclohexylpyrazolo[1,5-a]pyrimidin-3-yl)-N,N-dimethylbenzenesulfonamide;[4-(7-amino-5-cyclohexylpyrazolo[1,5-a]pyrimidin-3-yl)phenyl]methanol;5-cyclohexyl-3-[6-(dimethylamino)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 4-(7-amino-5-cyclohexylpyrazolo[1,5-a]pyrimidin-3-yl)-N,N-dimethylbenzenesulfonamide;[4-(7-amino-5-cyclohexylpyrazolo[1,5-a]pyrimidin-3-yl)phenyl]methanol;5-cyclohexyl-3-[6-(dimethylamino)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 4-(7-amino-5-cyclohexylpyrazolo[1,5-a]pyrimidin-3-yl)-N,N-dimethylbenzenesulfonamide;[4-(7-amino-5-cyclohexylpyrazolo[1,5-a]pyrimidin-3-yl)phenyl]methanol;5-cyclohexyl-3-[6-(dimethylamino)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-amine is CN(C)S(=O)(=O)c1ccc(-c2cnn3c(N)cc(C4CCCCC4)nc23)cc1.CN(C)c1ccc(-c2cnn3c(N)cc(C4CCCCC4)nc23)cn1.Nc1cc(C2CCCCC2)nc2c(-c3ccc(CO)cc3)cnn12.
What is the InChIKey of 4-(7-amino-5-cyclohexylpyrazolo[1,5-a]pyrimidin-3-yl)-N,N-dimethylbenzenesulfonamide;[4-(7-amino-5-cyclohexylpyrazolo[1,5-a]pyrimidin-3-yl)phenyl]methanol;5-cyclohexyl-3-[6-(dimethylamino)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is VJSZXUNPLORHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2S.C19H24N6.C19H22N4O/c1-24(2)28(26,27)16-10-8-14(9-11-16)17-13-22-25-19(21)12-18(23-20(17)25)15-6-4-3-5-7-15;1-24(2)18-9-8-14(11-21-18)15-12-22-25-17(20)10-16(23-19(15)25)13-6-4-3-5-7-13;20-18-10-17(15-4-2-1-3-5-15)22-19-16(11-21-23(18)19)14-8-6-13(12-24)7-9-14/h8-13,15H,3-7,21H2,1-2H3;8-13H,3-7,20H2,1-2H3;6-11,15,24H,1-5,12,20H2.
What are the key properties of 4-(7-amino-5-cyclohexylpyrazolo[1,5-a]pyrimidin-3-yl)-N,N-dimethylbenzenesulfonamide;[4-(7-amino-5-cyclohexylpyrazolo[1,5-a]pyrimidin-3-yl)phenyl]methanol;5-cyclohexyl-3-[6-(dimethylamino)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-amine?
4-(7-amino-5-cyclohexylpyrazolo[1,5-a]pyrimidin-3-yl)-N,N-dimethylbenzenesulfonamide;[4-(7-amino-5-cyclohexylpyrazolo[1,5-a]pyrimidin-3-yl)phenyl]methanol;5-cyclohexyl-3-[6-(dimethylamino)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 1058.37 g/mol, XLogP of 10.28, 10 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-amino-5-cyclohexylpyrazolo[1,5-a]pyrimidin-3-yl)-N,N-dimethylbenzenesulfonamide;[4-(7-amino-5-cyclohexylpyrazolo[1,5-a]pyrimidin-3-yl)phenyl]methanol;5-cyclohexyl-3-[6-(dimethylamino)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 123404329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).