(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;[(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

C152H212ClN43O8 — CID 158015879

IUPAC(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;[(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
SMILESCC(C)c1cnn2c(NCC3CCCCC3)cc(NC[C@@]3(CO)CCNC3)nc12.CC(C)c1cnn2c(NCc3ccccc3)cc(NC3CNCC[C@H]3C)nc12.CC(C)c1cnn2c(NCc3ccccc3)cc(NC3CNCC[C@H]3O)nc12.CC(C)c1cnn2c(NCc3ccccc3)cc(NC3CNCC[C@]3(O)CO)nc12.CC(C)c1cnn2c(NCc3ccccc3)cc(N[C@H]3CNCC[C@@]3(O)CO)nc12.CC(C)c1cnn2c(NCc3ccccc3Cl)cc(NC[C@@]3(CO)CCNC3)nc12.CC(C)c1cnn2c(NCc3ccncc3)cc(NC[C@@]3(CO)CCNC3)nc12
InChIInChI=1S/C22H29ClN6O.2C22H30N6O2.C22H36N6O.C22H30N6.C21H29N7O.C21H28N6O/c1-15(2)17-11-27-29-20(25-10-16-5-3-4-6-18(16)23)9-19(28-21(17)29)26-13-22(14-30)7-8-24-12-22;2*1-15(2)17-12-25-28-20(24-11-16-6-4-3-5-7-16)10-19(27-21(17)28)26-18-13-23-9-8-22(18,30)14-29;1-16(2)18-12-26-28-20(24-11-17-6-4-3-5-7-17)10-19(27-21(18)28)25-14-22(15-29)8-9-23-13-22;1-15(2)18-13-25-28-21(24-12-17-7-5-4-6-8-17)11-20(27-22(18)28)26-19-14-23-10-9-16(19)3;1-15(2)17-11-26-28-19(24-10-16-3-6-22-7-4-16)9-18(27-20(17)28)25-13-21(14-29)5-8-23-12-21;1-14(2)16-12-24-27-20(23-11-15-6-4-3-5-7-15)10-19(26-21(16)27)25-17-13-22-9-8-18(17)28/h3-6,9,11,15,24-25,30H,7-8,10,12-14H2,1-2H3,(H,26,28);2*3-7,10,12,15,18,23-24,29-30H,8-9,11,13-14H2,1-2H3,(H,26,27);10,12,16-17,23-24,29H,3-9,11,13-15H2,1-2H3,(H,25,27);4-8,11,13,15-16,19,23-24H,9-10,12,14H2,1-3H3,(H,26,27);3-4,6-7,9,11,15,23-24,29H,5,8,10,12-14H2,1-2H3,(H,25,27);3-7,10,12,14,17-18,22-23,28H,8-9,11,13H2,1-2H3,(H,25,26)/t22-;18?,22-;18-,22+;22-;16-,19?;21-;17?,18-/m1001111/s1
InChIKeyFFLKBBZTLHAEGG-NENXNFBLSA-N
MW2805.11 g/mol
LogP19.37
Rot. Bonds50

About (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;[(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

(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;[(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 (PubChem CID 158015879) has the molecular formula C152H212ClN43O8 and a molecular weight of 2805.11 g/mol. Its IUPAC name is (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;[(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.

Molecular Properties

Compound Name(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;[(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
PubChem CID158015879
Molecular FormulaC152H212ClN43O8
Molecular Weight2805.11 g/mol
Exact Mass2802.72
IUPAC Name(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;[(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
SMILESCC(C)c1cnn2c(NCC3CCCCC3)cc(NC[C@@]3(CO)CCNC3)nc12.CC(C)c1cnn2c(NCc3ccccc3)cc(NC3CNCC[C@H]3C)nc12.CC(C)c1cnn2c(NCc3ccccc3)cc(NC3CNCC[C@H]3O)nc12.CC(C)c1cnn2c(NCc3ccccc3)cc(NC3CNCC[C@]3(O)CO)nc12.CC(C)c1cnn2c(NCc3ccccc3)cc(N[C@H]3CNCC[C@@]3(O)CO)nc12.CC(C)c1cnn2c(NCc3ccccc3Cl)cc(NC[C@@]3(CO)CCNC3)nc12.CC(C)c1cnn2c(NCc3ccncc3)cc(NC[C@@]3(CO)CCNC3)nc12
InChIInChI=1S/C22H29ClN6O.2C22H30N6O2.C22H36N6O.C22H30N6.C21H29N7O.C21H28N6O/c1-15(2)17-11-27-29-20(25-10-16-5-3-4-6-18(16)23)9-19(28-21(17)29)26-13-22(14-30)7-8-24-12-22;2*1-15(2)17-12-25-28-20(24-11-16-6-4-3-5-7-16)10-19(27-21(17)28)26-18-13-23-9-8-22(18,30)14-29;1-16(2)18-12-26-28-20(24-11-17-6-4-3-5-7-17)10-19(27-21(18)28)25-14-22(15-29)8-9-23-13-22;1-15(2)18-13-25-28-21(24-12-17-7-5-4-6-8-17)11-20(27-22(18)28)26-19-14-23-10-9-16(19)3;1-15(2)17-11-26-28-19(24-10-16-3-6-22-7-4-16)9-18(27-20(17)28)25-13-21(14-29)5-8-23-12-21;1-14(2)16-12-24-27-20(23-11-15-6-4-3-5-7-15)10-19(26-21(16)27)25-17-13-22-9-8-18(17)28/h3-6,9,11,15,24-25,30H,7-8,10,12-14H2,1-2H3,(H,26,28);2*3-7,10,12,15,18,23-24,29-30H,8-9,11,13-14H2,1-2H3,(H,26,27);10,12,16-17,23-24,29H,3-9,11,13-15H2,1-2H3,(H,25,27);4-8,11,13,15-16,19,23-24H,9-10,12,14H2,1-3H3,(H,26,27);3-4,6-7,9,11,15,23-24,29H,5,8,10,12-14H2,1-2H3,(H,25,27);3-7,10,12,14,17-18,22-23,28H,8-9,11,13H2,1-2H3,(H,25,26)/t22-;18?,22-;18-,22+;22-;16-,19?;21-;17?,18-/m1001111/s1
InChIKeyFFLKBBZTLHAEGG-NENXNFBLSA-N
XLogP19.37
TPSA638.69 Ų
H-Bond Donors29
H-Bond Acceptors51
Rotatable Bonds50
Heavy Atoms204
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002805.11
LogP ≤ 519.37
H-Bond Donors ≤ 529
H-Bond Acceptors ≤ 1051

Analyze (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;[(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 with MolForge

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Related Compounds

1-[4-[3-chloro-5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-2-methylpropan-1-ol;bis(1-[4-[3-chloro-5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]propan-1-ol);2-[4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-1-methoxypropan-2-ol;2-[4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-4,4,4-trifluorobutan-2-ol
CID 157452657
(3E)-3-[[5-(3-chloroanilino)-7-(cyclobutylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[5-(3-chloroanilino)-7-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[5-(3-chloroanilino)-7-(2-hydroxypropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[5-(3-chloroanilino)-7-(propan-2-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[5-(3-chloroanilino)-7-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one
CID 157234733
(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
2-[[7-(Benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol;2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]propane-1,3-diol;3-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]propane-1,2-diol;3-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]propan-1-ol;3-[[7-[(2-fluorophenyl)methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]propan-1-ol;methane
CID 157797273
4-(2-aminoethyl)-2-(4-chlorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-ol;4-[3-(4-chlorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]pyrimidine;2-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]ethanamine;2-[3-(4-chlorophenyl)-4-pyrimidin-4-ylpyrazol-1-yl]ethanol;4-[3-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]pyrimidine;2-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]ethanamine
CID 158033501
6-chloro-1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine;6-chloro-1-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;6-chloro-1-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine;6-chloro-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;methane
CID 158149572
3-[2-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]piperidine-1-carboxamide;(2R)-1-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol;(2S)-1-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol;(2R)-2-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol;(2S)-2-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol;2-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol;1-[3-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]pyrrolidin-2-one;3-[[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]piperidine-1-carboxamide
CID 158231369
(2S,3S)-3-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]butane-1,2,4-triol;(2R,3S)-3-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]butane-1,2,4-triol;(2R)-2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]butan-1-ol;(2R)-2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]but-3-en-1-ol;7-N-benzyl-5-N,3-di(propan-2-yl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;methane
CID 158387488
(2R,3R)-2-[[8-ethyl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butane-1,3-diol;2-[[8-ethyl-4-[(4-pyridin-3-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]propane-1,3-diol;bis((3R,5S)-1-[8-ethyl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]-5-(hydroxymethyl)pyrrolidin-3-ol);(3R,5S)-5-(hydroxymethyl)-1-[4-[(6-phenyl-3-pyridinyl)methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]pyrrolidin-3-ol
CID 158533990
(2R,3R,4S)-2-[[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]pyrrolidine-3,4-diol;(2R,3S)-2-[[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]pyrrolidin-3-ol;(3R,5S)-5-[[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]pyrrolidin-3-ol;[(2R,4R)-4-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]pyrrolidin-2-yl]methanol;7-N-benzyl-5-N-[[(2S,4R)-4-methylpyrrolidin-2-yl]methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 158705471

Frequently Asked Questions

What is the IUPAC name of (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;[(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?
The IUPAC name of (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;[(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 158015879) is (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;[(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.
What is the SMILES notation for (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;[(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?
The canonical SMILES for (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;[(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 is CC(C)c1cnn2c(NCC3CCCCC3)cc(NC[C@@]3(CO)CCNC3)nc12.CC(C)c1cnn2c(NCc3ccccc3)cc(NC3CNCC[C@H]3C)nc12.CC(C)c1cnn2c(NCc3ccccc3)cc(NC3CNCC[C@H]3O)nc12.CC(C)c1cnn2c(NCc3ccccc3)cc(NC3CNCC[C@]3(O)CO)nc12.CC(C)c1cnn2c(NCc3ccccc3)cc(N[C@H]3CNCC[C@@]3(O)CO)nc12.CC(C)c1cnn2c(NCc3ccccc3Cl)cc(NC[C@@]3(CO)CCNC3)nc12.CC(C)c1cnn2c(NCc3ccncc3)cc(NC[C@@]3(CO)CCNC3)nc12.
What is the InChIKey of (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;[(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?
The InChIKey is FFLKBBZTLHAEGG-NENXNFBLSA-N. The full InChI is InChI=1S/C22H29ClN6O.2C22H30N6O2.C22H36N6O.C22H30N6.C21H29N7O.C21H28N6O/c1-15(2)17-11-27-29-20(25-10-16-5-3-4-6-18(16)23)9-19(28-21(17)29)26-13-22(14-30)7-8-24-12-22;2*1-15(2)17-12-25-28-20(24-11-16-6-4-3-5-7-16)10-19(27-21(17)28)26-18-13-23-9-8-22(18,30)14-29;1-16(2)18-12-26-28-20(24-11-17-6-4-3-5-7-17)10-19(27-21(18)28)25-14-22(15-29)8-9-23-13-22;1-15(2)18-13-25-28-21(24-12-17-7-5-4-6-8-17)11-20(27-22(18)28)26-19-14-23-10-9-16(19)3;1-15(2)17-11-26-28-19(24-10-16-3-6-22-7-4-16)9-18(27-20(17)28)25-13-21(14-29)5-8-23-12-21;1-14(2)16-12-24-27-20(23-11-15-6-4-3-5-7-15)10-19(26-21(16)27)25-17-13-22-9-8-18(17)28/h3-6,9,11,15,24-25,30H,7-8,10,12-14H2,1-2H3,(H,26,28);2*3-7,10,12,15,18,23-24,29-30H,8-9,11,13-14H2,1-2H3,(H,26,27);10,12,16-17,23-24,29H,3-9,11,13-15H2,1-2H3,(H,25,27);4-8,11,13,15-16,19,23-24H,9-10,12,14H2,1-3H3,(H,26,27);3-4,6-7,9,11,15,23-24,29H,5,8,10,12-14H2,1-2H3,(H,25,27);3-7,10,12,14,17-18,22-23,28H,8-9,11,13H2,1-2H3,(H,25,26)/t22-;18?,22-;18-,22+;22-;16-,19?;21-;17?,18-/m1001111/s1.
What are the key properties of (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;[(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?
(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;[(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 has a molecular weight of 2805.11 g/mol, XLogP of 19.37, 50 rotatable bonds, 29 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for (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;[(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 is sourced from PubChem (CID 158015879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).