5-N-(4-aminocyclohexyl)-7-N-[(2-fluorophenyl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;5-N-(7-aminoheptyl)-7-N-benzyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;5-N-(5-aminopentyl)-7-N-[(2-fluorophenyl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;2-[2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]ethoxy]ethanol;N-benzyl-5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;7-N-[(2-fluorophenyl)methyl]-5-N-[5-[[7-[(2-fluorophenyl)methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]pentyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;methane

C145H204ClF4N37O2 — CID 161036413

IUPAC5-N-(4-aminocyclohexyl)-7-N-[(2-fluorophenyl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;5-N-(7-aminoheptyl)-7-N-benzyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;5-N-(5-aminopentyl)-7-N-[(2-fluorophenyl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;2-[2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]ethoxy]ethanol;N-benzyl-5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;7-N-[(2-fluorophenyl)methyl]-5-N-[5-[[7-[(2-fluorophenyl)methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]pentyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;methane
SMILESC.C.C.C.C.C.CC(C)c1cnn2c(NCc3ccccc3)cc(Cl)nc12.CC(C)c1cnn2c(NCc3ccccc3)cc(NCCCCCCCN)nc12.CC(C)c1cnn2c(NCc3ccccc3)cc(NCCOCCO)nc12.CC(C)c1cnn2c(NCc3ccccc3F)cc(NC3CCC(N)CC3)nc12.CC(C)c1cnn2c(NCc3ccccc3F)cc(NCCCCCN)nc12.CC(C)c1cnn2c(NCc3ccccc3F)cc(NCCCCCNc3cc(NCc4ccccc4F)n4ncc(C(C)C)c4n3)nc12
InChIInChI=1S/C37H44F2N10.C23H34N6.C22H29FN6.C21H29FN6.C20H27N5O2.C16H17ClN4.6CH4/c1-24(2)28-22-44-48-34(42-20-26-12-6-8-14-30(26)38)18-32(46-36(28)48)40-16-10-5-11-17-41-33-19-35(43-21-27-13-7-9-15-31(27)39)49-37(47-33)29(23-45-49)25(3)4;1-18(2)20-17-27-29-22(26-16-19-11-7-6-8-12-19)15-21(28-23(20)29)25-14-10-5-3-4-9-13-24;1-14(2)18-13-26-29-21(25-12-15-5-3-4-6-19(15)23)11-20(28-22(18)29)27-17-9-7-16(24)8-10-17;1-15(2)17-14-26-28-20(25-13-16-8-4-5-9-18(16)22)12-19(27-21(17)28)24-11-7-3-6-10-23;1-15(2)17-14-23-25-19(22-13-16-6-4-3-5-7-16)12-18(24-20(17)25)21-8-10-27-11-9-26;1-11(2)13-10-19-21-15(8-14(17)20-16(13)21)18-9-12-6-4-3-5-7-12;;;;;;/h6-9,12-15,18-19,22-25,42-43H,5,10-11,16-17,20-21H2,1-4H3,(H,40,46)(H,41,47);6-8,11-12,15,17-18,26H,3-5,9-10,13-14,16,24H2,1-2H3,(H,25,28);3-6,11,13-14,16-17,25H,7-10,12,24H2,1-2H3,(H,27,28);4-5,8-9,12,14-15,25H,3,6-7,10-11,13,23H2,1-2H3,(H,24,27);3-7,12,14-15,22,26H,8-11,13H2,1-2H3,(H,21,24);3-8,10-11,18H,9H2,1-2H3;6*1H4
InChIKeyUAHQNPQSIYLSMX-UHFFFAOYSA-N
MW2608.93 g/mol
LogP32.25
Rot. Bonds58

About 5-N-(4-aminocyclohexyl)-7-N-[(2-fluorophenyl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;5-N-(7-aminoheptyl)-7-N-benzyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;5-N-(5-aminopentyl)-7-N-[(2-fluorophenyl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;2-[2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]ethoxy]ethanol;N-benzyl-5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;7-N-[(2-fluorophenyl)methyl]-5-N-[5-[[7-[(2-fluorophenyl)methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]pentyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;methane

5-N-(4-aminocyclohexyl)-7-N-[(2-fluorophenyl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;5-N-(7-aminoheptyl)-7-N-benzyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;5-N-(5-aminopentyl)-7-N-[(2-fluorophenyl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;2-[2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]ethoxy]ethanol;N-benzyl-5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;7-N-[(2-fluorophenyl)methyl]-5-N-[5-[[7-[(2-fluorophenyl)methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]pentyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;methane (PubChem CID 161036413) has the molecular formula C145H204ClF4N37O2 and a molecular weight of 2608.93 g/mol. Its IUPAC name is 5-N-(4-aminocyclohexyl)-7-N-[(2-fluorophenyl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;5-N-(7-aminoheptyl)-7-N-benzyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;5-N-(5-aminopentyl)-7-N-[(2-fluorophenyl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;2-[2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]ethoxy]ethanol;N-benzyl-5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;7-N-[(2-fluorophenyl)methyl]-5-N-[5-[[7-[(2-fluorophenyl)methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]pentyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;methane.

Molecular Properties

Compound Name5-N-(4-aminocyclohexyl)-7-N-[(2-fluorophenyl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;5-N-(7-aminoheptyl)-7-N-benzyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;5-N-(5-aminopentyl)-7-N-[(2-fluorophenyl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;2-[2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]ethoxy]ethanol;N-benzyl-5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;7-N-[(2-fluorophenyl)methyl]-5-N-[5-[[7-[(2-fluorophenyl)methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]pentyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;methane
PubChem CID161036413
Molecular FormulaC145H204ClF4N37O2
Molecular Weight2608.93 g/mol
Exact Mass2606.66
IUPAC Name5-N-(4-aminocyclohexyl)-7-N-[(2-fluorophenyl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;5-N-(7-aminoheptyl)-7-N-benzyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;5-N-(5-aminopentyl)-7-N-[(2-fluorophenyl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;2-[2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]ethoxy]ethanol;N-benzyl-5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;7-N-[(2-fluorophenyl)methyl]-5-N-[5-[[7-[(2-fluorophenyl)methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]pentyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;methane
SMILESC.C.C.C.C.C.CC(C)c1cnn2c(NCc3ccccc3)cc(Cl)nc12.CC(C)c1cnn2c(NCc3ccccc3)cc(NCCCCCCCN)nc12.CC(C)c1cnn2c(NCc3ccccc3)cc(NCCOCCO)nc12.CC(C)c1cnn2c(NCc3ccccc3F)cc(NC3CCC(N)CC3)nc12.CC(C)c1cnn2c(NCc3ccccc3F)cc(NCCCCCN)nc12.CC(C)c1cnn2c(NCc3ccccc3F)cc(NCCCCCNc3cc(NCc4ccccc4F)n4ncc(C(C)C)c4n3)nc12
InChIInChI=1S/C37H44F2N10.C23H34N6.C22H29FN6.C21H29FN6.C20H27N5O2.C16H17ClN4.6CH4/c1-24(2)28-22-44-48-34(42-20-26-12-6-8-14-30(26)38)18-32(46-36(28)48)40-16-10-5-11-17-41-33-19-35(43-21-27-13-7-9-15-31(27)39)49-37(47-33)29(23-45-49)25(3)4;1-18(2)20-17-27-29-22(26-16-19-11-7-6-8-12-19)15-21(28-23(20)29)25-14-10-5-3-4-9-13-24;1-14(2)18-13-26-29-21(25-12-15-5-3-4-6-19(15)23)11-20(28-22(18)29)27-17-9-7-16(24)8-10-17;1-15(2)17-14-26-28-20(25-13-16-8-4-5-9-18(16)22)12-19(27-21(17)28)24-11-7-3-6-10-23;1-15(2)17-14-23-25-19(22-13-16-6-4-3-5-7-16)12-18(24-20(17)25)21-8-10-27-11-9-26;1-11(2)13-10-19-21-15(8-14(17)20-16(13)21)18-9-12-6-4-3-5-7-12;;;;;;/h6-9,12-15,18-19,22-25,42-43H,5,10-11,16-17,20-21H2,1-4H3,(H,40,46)(H,41,47);6-8,11-12,15,17-18,26H,3-5,9-10,13-14,16,24H2,1-2H3,(H,25,28);3-6,11,13-14,16-17,25H,7-10,12,24H2,1-2H3,(H,27,28);4-5,8-9,12,14-15,25H,3,6-7,10-11,13,23H2,1-2H3,(H,24,27);3-7,12,14-15,22,26H,8-11,13H2,1-2H3,(H,21,24);3-8,10-11,18H,9H2,1-2H3;6*1H4
InChIKeyUAHQNPQSIYLSMX-UHFFFAOYSA-N
XLogP32.25
TPSA475.24 Ų
H-Bond Donors17
H-Bond Acceptors39
Rotatable Bonds58
Heavy Atoms189
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002608.93
LogP ≤ 532.25
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-N-(4-aminocyclohexyl)-7-N-[(2-fluorophenyl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;5-N-(7-aminoheptyl)-7-N-benzyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;5-N-(5-aminopentyl)-7-N-[(2-fluorophenyl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;2-[2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]ethoxy]ethanol;N-benzyl-5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;7-N-[(2-fluorophenyl)methyl]-5-N-[5-[[7-[(2-fluorophenyl)methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]pentyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;methane with MolForge

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Launch Full Analysis

Related Compounds

N-[4-[3-(5-chloro-3-pyridinyl)-1,2,4-triazol-1-yl]phenyl]-4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(2-methyl-3-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(3-methyl-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(6-methyl-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine
CID 159449952
5-amino-8-(2,6-dimethyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-carbonitrile;8-(2-chloro-6-methyl-4-pyridinyl)-2-[(dimethylamino)methyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-[(dimethylamino)methyl]-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;bis(2-methyl-7-(1-methylpyrazol-3-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine);8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-[[(3S)-oxolan-3-yl]oxymethyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 160613790
3,3-difluoro-N-[(1R,3S)-3-[[5-fluoro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide;(3R)-3-fluoro-N-[(1R)-3-[[5-fluoro-2-(5-fluoro-1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]methyl]cyclohexyl]pyrrolidine-1-carboxamide;N-[(1R)-3-[[5-fluoro-2-(5-fluoro-1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]methyl]cyclohexyl]morpholine-4-carboxamide;(2S)-N-[(1R,3S)-3-[[5-fluoro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]-2-methylpyrrolidine-1-carboxamide;N-[(1R,3S)-3-[[5-fluoro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]piperidine-1-carboxamide;N-[(1R)-3-[[5-fluoro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]methyl]cyclohexyl]pyrrolidine-1-carboxamide
CID 160957594
2-[[3-(3,3-difluoropyrrolidin-1-yl)azetidin-1-yl]methyl]-8-propan-2-yl-7-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-[[methyl(3-piperidin-1-ylpropyl)amino]methyl]-8-propan-2-yl-7-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-[(2-morpholin-4-ylethylamino)methyl]-8-propan-2-yl-7-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;8-propan-2-yl-7-[(2-pyrazol-1-ylphenyl)methyl]-2-[(2-pyrrolidin-1-ylethylamino)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 173668939
2-(4-aminopiperidin-1-yl)-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-N-(azetidin-3-ylmethyl)-2-N-methyl-8-propan-2-yl-4-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-methyl-2-N-(2-morpholin-4-ylethyl)-8-propan-2-yl-4-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
CID 89784082
2-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-[(2-morpholin-4-ylethylamino)methyl]-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]-2-[(2-pyrrolidin-1-ylethylamino)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 89784141
N-tert-butyl-5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;2-[[5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol
CID 123452156
(2R)-7-amino-2-[[7-[(2-fluorophenyl)methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]heptan-1-ol;tert-butyl N-[(6R)-6-amino-7-[tert-butyl(dimethyl)silyl]oxyheptyl]carbamate;tert-butyl N-[5-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-7-[(2-methylpropan-2-yl)oxycarbonylamino]heptan-2-yl]amino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[(2-fluorophenyl)methyl]carbamate;tert-butyl N-(5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-N-[(2-fluorophenyl)methyl]carbamate;tert-butyl N-[(2-fluorophenyl)methyl]-N-[5-[[(2R)-1-hydroxy-7-[(2-methylpropan-2-yl)oxycarbonylamino]heptan-2-yl]amino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]carbamate;5-chloro-N-[(2-fluorophenyl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;oxolane
CID 157064057
N-[2-(4-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]-3-[(2R)-2-methylpiperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;N-[2-(4-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]-3-[(2S)-2-methylpiperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;N-[2-(4-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]-3-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-amine;N-[2-(4-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]-3-(1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 157178401
(4R)-3-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]piperidin-4-ol;[(3R)-3-[[[7-[(2-chlorophenyl)methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]pyrrolidin-3-yl]methanol;[(3R)-3-[[[7-(cyclohexylmethylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]pyrrolidin-3-yl]methanol;[(3R)-3-[[[3-propan-2-yl-7-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]pyrrolidin-3-yl]methanol
CID 157353864
(3S,4S)-3-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]-4-(hydroxymethyl)piperidin-4-ol;(4R)-3-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]-4-(hydroxymethyl)piperidin-4-ol;(4R)-3-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]piperidin-4-ol;7-N-benzyl-5-N-[(4R)-4-methylpiperidin-3-yl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;[(3R)-3-[[[7-[(2-chlorophenyl)methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]pyrrolidin-3-yl]methanol
CID 157354511
2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]butane-1,4-diol;(2R)-2-[[7-[(2-fluorophenyl)methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]butane-1,4-diol;(2S)-2-[[7-[(2-fluorophenyl)methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]butane-1,4-diol;2-[[7-[(2-fluorophenyl)methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]butane-1,4-diol;methane
CID 157416210

Frequently Asked Questions

What is the IUPAC name of 5-N-(4-aminocyclohexyl)-7-N-[(2-fluorophenyl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;5-N-(7-aminoheptyl)-7-N-benzyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;5-N-(5-aminopentyl)-7-N-[(2-fluorophenyl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;2-[2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]ethoxy]ethanol;N-benzyl-5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;7-N-[(2-fluorophenyl)methyl]-5-N-[5-[[7-[(2-fluorophenyl)methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]pentyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;methane?
The IUPAC name of 5-N-(4-aminocyclohexyl)-7-N-[(2-fluorophenyl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;5-N-(7-aminoheptyl)-7-N-benzyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;5-N-(5-aminopentyl)-7-N-[(2-fluorophenyl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;2-[2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]ethoxy]ethanol;N-benzyl-5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;7-N-[(2-fluorophenyl)methyl]-5-N-[5-[[7-[(2-fluorophenyl)methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]pentyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;methane (CID 161036413) is 5-N-(4-aminocyclohexyl)-7-N-[(2-fluorophenyl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;5-N-(7-aminoheptyl)-7-N-benzyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;5-N-(5-aminopentyl)-7-N-[(2-fluorophenyl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;2-[2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]ethoxy]ethanol;N-benzyl-5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;7-N-[(2-fluorophenyl)methyl]-5-N-[5-[[7-[(2-fluorophenyl)methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]pentyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;methane.
What is the SMILES notation for 5-N-(4-aminocyclohexyl)-7-N-[(2-fluorophenyl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;5-N-(7-aminoheptyl)-7-N-benzyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;5-N-(5-aminopentyl)-7-N-[(2-fluorophenyl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;2-[2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]ethoxy]ethanol;N-benzyl-5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;7-N-[(2-fluorophenyl)methyl]-5-N-[5-[[7-[(2-fluorophenyl)methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]pentyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;methane?
The canonical SMILES for 5-N-(4-aminocyclohexyl)-7-N-[(2-fluorophenyl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;5-N-(7-aminoheptyl)-7-N-benzyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;5-N-(5-aminopentyl)-7-N-[(2-fluorophenyl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;2-[2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]ethoxy]ethanol;N-benzyl-5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;7-N-[(2-fluorophenyl)methyl]-5-N-[5-[[7-[(2-fluorophenyl)methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]pentyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;methane is C.C.C.C.C.C.CC(C)c1cnn2c(NCc3ccccc3)cc(Cl)nc12.CC(C)c1cnn2c(NCc3ccccc3)cc(NCCCCCCCN)nc12.CC(C)c1cnn2c(NCc3ccccc3)cc(NCCOCCO)nc12.CC(C)c1cnn2c(NCc3ccccc3F)cc(NC3CCC(N)CC3)nc12.CC(C)c1cnn2c(NCc3ccccc3F)cc(NCCCCCN)nc12.CC(C)c1cnn2c(NCc3ccccc3F)cc(NCCCCCNc3cc(NCc4ccccc4F)n4ncc(C(C)C)c4n3)nc12.
What is the InChIKey of 5-N-(4-aminocyclohexyl)-7-N-[(2-fluorophenyl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;5-N-(7-aminoheptyl)-7-N-benzyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;5-N-(5-aminopentyl)-7-N-[(2-fluorophenyl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;2-[2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]ethoxy]ethanol;N-benzyl-5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;7-N-[(2-fluorophenyl)methyl]-5-N-[5-[[7-[(2-fluorophenyl)methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]pentyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;methane?
The InChIKey is UAHQNPQSIYLSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H44F2N10.C23H34N6.C22H29FN6.C21H29FN6.C20H27N5O2.C16H17ClN4.6CH4/c1-24(2)28-22-44-48-34(42-20-26-12-6-8-14-30(26)38)18-32(46-36(28)48)40-16-10-5-11-17-41-33-19-35(43-21-27-13-7-9-15-31(27)39)49-37(47-33)29(23-45-49)25(3)4;1-18(2)20-17-27-29-22(26-16-19-11-7-6-8-12-19)15-21(28-23(20)29)25-14-10-5-3-4-9-13-24;1-14(2)18-13-26-29-21(25-12-15-5-3-4-6-19(15)23)11-20(28-22(18)29)27-17-9-7-16(24)8-10-17;1-15(2)17-14-26-28-20(25-13-16-8-4-5-9-18(16)22)12-19(27-21(17)28)24-11-7-3-6-10-23;1-15(2)17-14-23-25-19(22-13-16-6-4-3-5-7-16)12-18(24-20(17)25)21-8-10-27-11-9-26;1-11(2)13-10-19-21-15(8-14(17)20-16(13)21)18-9-12-6-4-3-5-7-12;;;;;;/h6-9,12-15,18-19,22-25,42-43H,5,10-11,16-17,20-21H2,1-4H3,(H,40,46)(H,41,47);6-8,11-12,15,17-18,26H,3-5,9-10,13-14,16,24H2,1-2H3,(H,25,28);3-6,11,13-14,16-17,25H,7-10,12,24H2,1-2H3,(H,27,28);4-5,8-9,12,14-15,25H,3,6-7,10-11,13,23H2,1-2H3,(H,24,27);3-7,12,14-15,22,26H,8-11,13H2,1-2H3,(H,21,24);3-8,10-11,18H,9H2,1-2H3;6*1H4.
What are the key properties of 5-N-(4-aminocyclohexyl)-7-N-[(2-fluorophenyl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;5-N-(7-aminoheptyl)-7-N-benzyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;5-N-(5-aminopentyl)-7-N-[(2-fluorophenyl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;2-[2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]ethoxy]ethanol;N-benzyl-5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;7-N-[(2-fluorophenyl)methyl]-5-N-[5-[[7-[(2-fluorophenyl)methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]pentyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;methane?
5-N-(4-aminocyclohexyl)-7-N-[(2-fluorophenyl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;5-N-(7-aminoheptyl)-7-N-benzyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;5-N-(5-aminopentyl)-7-N-[(2-fluorophenyl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;2-[2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]ethoxy]ethanol;N-benzyl-5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;7-N-[(2-fluorophenyl)methyl]-5-N-[5-[[7-[(2-fluorophenyl)methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]pentyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;methane has a molecular weight of 2608.93 g/mol, XLogP of 32.25, 58 rotatable bonds, 17 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-aminocyclohexyl)-7-N-[(2-fluorophenyl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;5-N-(7-aminoheptyl)-7-N-benzyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;5-N-(5-aminopentyl)-7-N-[(2-fluorophenyl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;2-[2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]ethoxy]ethanol;N-benzyl-5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;7-N-[(2-fluorophenyl)methyl]-5-N-[5-[[7-[(2-fluorophenyl)methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]pentyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;methane is sourced from PubChem (CID 161036413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).