(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;[(2S)-4-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]pyrrolidin-2-yl]methanol;7-N-benzyl-5-N-[(3R,5S)-5-ethylpyrrolidin-3-yl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;7-N-benzyl-5-N-[[(2S,4R)-4-methylpyrrolidin-2-yl]methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine
C149H200N42O6 — CID 159150379
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC(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;[(2S)-4-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]pyrrolidin-2-yl]methanol;7-N-benzyl-5-N-[(3R,5S)-5-ethylpyrrolidin-3-yl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;7-N-benzyl-5-N-[[(2S,4R)-4-methylpyrrolidin-2-yl]methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine
SMILESCC(C)c1cnn2c(NCc3ccccc3)cc(NC3CN[C@H](CO)C3)nc12.CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C@@H]3C[C@@H](C)CN3)nc12.CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C@@H]3C[C@@H](O)CN3)nc12.CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C@H]3NCC[C@@H]3O)nc12.CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C@H]3NC[C@H](O)[C@@H]3O)nc12.CC(C)c1cnn2c(NCc3ccccc3)cc(N[C@H]3CN[C@@H](CO)C3)nc12.CC[C@H]1C[C@@H](Nc2cc(NCc3ccccc3)n3ncc(C(C)C)c3n2)CN1
InChIInChI=1S/2C22H30N6.C21H28N6O2.4C21H28N6O/c1-15(2)19-14-26-28-21(25-12-17-7-5-4-6-8-17)10-20(27-22(19)28)24-13-18-9-16(3)11-23-18;1-4-17-10-18(13-23-17)26-20-11-21(24-12-16-8-6-5-7-9-16)28-22(27-20)19(14-25-28)15(2)3;1-13(2)15-10-25-27-19(24-9-14-6-4-3-5-7-14)8-18(26-21(15)27)23-11-16-20(29)17(28)12-22-16;2*1-14(2)18-12-24-27-20(23-10-15-6-4-3-5-7-15)9-19(26-21(18)27)25-16-8-17(13-28)22-11-16;1-14(2)18-13-25-27-20(24-10-15-6-4-3-5-7-15)9-19(26-21(18)27)23-11-16-8-17(28)12-22-16;1-14(2)16-12-25-27-20(24-11-15-6-4-3-5-7-15)10-19(26-21(16)27)23-13-17-18(28)8-9-22-17/h4-8,10,14-16,18,23,25H,9,11-13H2,1-3H3,(H,24,27);5-9,11,14-15,17-18,23-24H,4,10,12-13H2,1-3H3,(H,26,27);3-8,10,13,16-17,20,22,24,28-29H,9,11-12H2,1-2H3,(H,23,26);2*3-7,9,12,14,16-17,22-23,28H,8,10-11,13H2,1-2H3,(H,25,26);3-7,9,13-14,16-17,22,24,28H,8,10-12H2,1-2H3,(H,23,26);3-7,10,12,14,17-18,22,24,28H,8-9,11,13H2,1-2H3,(H,23,26)/t16-,18+;17-,18+;16-,17+,20-;16?,17-;16-,17-;16-,17+;17-,18+/m1010101/s1
InChIKeyKJEYKTYSAVIYNB-MBEAFIPESA-N
MW2675.53 g/mol
LogP19.86
Rot. Bonds49
About (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;[(2S)-4-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]pyrrolidin-2-yl]methanol;7-N-benzyl-5-N-[(3R,5S)-5-ethylpyrrolidin-3-yl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;7-N-benzyl-5-N-[[(2S,4R)-4-methylpyrrolidin-2-yl]methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine
(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;[(2S)-4-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]pyrrolidin-2-yl]methanol;7-N-benzyl-5-N-[(3R,5S)-5-ethylpyrrolidin-3-yl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;7-N-benzyl-5-N-[[(2S,4R)-4-methylpyrrolidin-2-yl]methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine (PubChem CID 159150379) has the molecular formula C149H200N42O6 and a molecular weight of 2675.53 g/mol. Its IUPAC name is (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;[(2S)-4-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]pyrrolidin-2-yl]methanol;7-N-benzyl-5-N-[(3R,5S)-5-ethylpyrrolidin-3-yl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;7-N-benzyl-5-N-[[(2S,4R)-4-methylpyrrolidin-2-yl]methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine.
Molecular Properties
| Compound Name | (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;[(2S)-4-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]pyrrolidin-2-yl]methanol;7-N-benzyl-5-N-[(3R,5S)-5-ethylpyrrolidin-3-yl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;7-N-benzyl-5-N-[[(2S,4R)-4-methylpyrrolidin-2-yl]methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine |
|---|---|
| PubChem CID | 159150379 |
| Molecular Formula | C149H200N42O6 |
| Molecular Weight | 2675.53 g/mol |
| Exact Mass | 2673.66 |
| IUPAC Name | (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;[(2S)-4-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]pyrrolidin-2-yl]methanol;7-N-benzyl-5-N-[(3R,5S)-5-ethylpyrrolidin-3-yl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;7-N-benzyl-5-N-[[(2S,4R)-4-methylpyrrolidin-2-yl]methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine |
| SMILES | CC(C)c1cnn2c(NCc3ccccc3)cc(NC3CN[C@H](CO)C3)nc12.CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C@@H]3C[C@@H](C)CN3)nc12.CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C@@H]3C[C@@H](O)CN3)nc12.CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C@H]3NCC[C@@H]3O)nc12.CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C@H]3NC[C@H](O)[C@@H]3O)nc12.CC(C)c1cnn2c(NCc3ccccc3)cc(N[C@H]3CN[C@@H](CO)C3)nc12.CC[C@H]1C[C@@H](Nc2cc(NCc3ccccc3)n3ncc(C(C)C)c3n2)CN1 |
| InChI | InChI=1S/2C22H30N6.C21H28N6O2.4C21H28N6O/c1-15(2)19-14-26-28-21(25-12-17-7-5-4-6-8-17)10-20(27-22(19)28)24-13-18-9-16(3)11-23-18;1-4-17-10-18(13-23-17)26-20-11-21(24-12-16-8-6-5-7-9-16)28-22(27-20)19(14-25-28)15(2)3;1-13(2)15-10-25-27-19(24-9-14-6-4-3-5-7-14)8-18(26-21(15)27)23-11-16-20(29)17(28)12-22-16;2*1-14(2)18-12-24-27-20(23-10-15-6-4-3-5-7-15)9-19(26-21(18)27)25-16-8-17(13-28)22-11-16;1-14(2)18-13-25-27-20(24-10-15-6-4-3-5-7-15)9-19(26-21(18)27)23-11-16-8-17(28)12-22-16;1-14(2)16-12-25-27-20(24-11-15-6-4-3-5-7-15)10-19(26-21(16)27)23-13-17-18(28)8-9-22-17/h4-8,10,14-16,18,23,25H,9,11-13H2,1-3H3,(H,24,27);5-9,11,14-15,17-18,23-24H,4,10,12-13H2,1-3H3,(H,26,27);3-8,10,13,16-17,20,22,24,28-29H,9,11-12H2,1-2H3,(H,23,26);2*3-7,9,12,14,16-17,22-23,28H,8,10-11,13H2,1-2H3,(H,25,26);3-7,9,13-14,16-17,22,24,28H,8,10-12H2,1-2H3,(H,23,26);3-7,10,12,14,17-18,22,24,28H,8-9,11,13H2,1-2H3,(H,23,26)/t16-,18+;17-,18+;16-,17+,20-;16?,17-;16-,17-;16-,17+;17-,18+/m1010101/s1 |
| InChIKey | KJEYKTYSAVIYNB-MBEAFIPESA-N |
| XLogP | 19.86 |
| TPSA | 585.34 Ų |
| H-Bond Donors | 27 |
| H-Bond Acceptors | 48 |
| Rotatable Bonds | 49 |
| Heavy Atoms | 197 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2675.53 |
| LogP ≤ 5 | 19.86 |
| H-Bond Donors ≤ 5 | 27 |
| H-Bond Acceptors ≤ 10 | 48 |
Frequently Asked Questions
What is the IUPAC name of (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;[(2S)-4-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]pyrrolidin-2-yl]methanol;7-N-benzyl-5-N-[(3R,5S)-5-ethylpyrrolidin-3-yl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;7-N-benzyl-5-N-[[(2S,4R)-4-methylpyrrolidin-2-yl]methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine?
The IUPAC name of (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;[(2S)-4-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]pyrrolidin-2-yl]methanol;7-N-benzyl-5-N-[(3R,5S)-5-ethylpyrrolidin-3-yl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;7-N-benzyl-5-N-[[(2S,4R)-4-methylpyrrolidin-2-yl]methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine (CID 159150379) is (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;[(2S)-4-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]pyrrolidin-2-yl]methanol;7-N-benzyl-5-N-[(3R,5S)-5-ethylpyrrolidin-3-yl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;7-N-benzyl-5-N-[[(2S,4R)-4-methylpyrrolidin-2-yl]methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine.
What is the SMILES notation for (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;[(2S)-4-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]pyrrolidin-2-yl]methanol;7-N-benzyl-5-N-[(3R,5S)-5-ethylpyrrolidin-3-yl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;7-N-benzyl-5-N-[[(2S,4R)-4-methylpyrrolidin-2-yl]methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine?
The canonical SMILES for (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;[(2S)-4-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]pyrrolidin-2-yl]methanol;7-N-benzyl-5-N-[(3R,5S)-5-ethylpyrrolidin-3-yl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;7-N-benzyl-5-N-[[(2S,4R)-4-methylpyrrolidin-2-yl]methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine is CC(C)c1cnn2c(NCc3ccccc3)cc(NC3CN[C@H](CO)C3)nc12.CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C@@H]3C[C@@H](C)CN3)nc12.CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C@@H]3C[C@@H](O)CN3)nc12.CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C@H]3NCC[C@@H]3O)nc12.CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C@H]3NC[C@H](O)[C@@H]3O)nc12.CC(C)c1cnn2c(NCc3ccccc3)cc(N[C@H]3CN[C@@H](CO)C3)nc12.CC[C@H]1C[C@@H](Nc2cc(NCc3ccccc3)n3ncc(C(C)C)c3n2)CN1.
What is the InChIKey of (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;[(2S)-4-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]pyrrolidin-2-yl]methanol;7-N-benzyl-5-N-[(3R,5S)-5-ethylpyrrolidin-3-yl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;7-N-benzyl-5-N-[[(2S,4R)-4-methylpyrrolidin-2-yl]methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine?
The InChIKey is KJEYKTYSAVIYNB-MBEAFIPESA-N. The full InChI is InChI=1S/2C22H30N6.C21H28N6O2.4C21H28N6O/c1-15(2)19-14-26-28-21(25-12-17-7-5-4-6-8-17)10-20(27-22(19)28)24-13-18-9-16(3)11-23-18;1-4-17-10-18(13-23-17)26-20-11-21(24-12-16-8-6-5-7-9-16)28-22(27-20)19(14-25-28)15(2)3;1-13(2)15-10-25-27-19(24-9-14-6-4-3-5-7-14)8-18(26-21(15)27)23-11-16-20(29)17(28)12-22-16;2*1-14(2)18-12-24-27-20(23-10-15-6-4-3-5-7-15)9-19(26-21(18)27)25-16-8-17(13-28)22-11-16;1-14(2)18-13-25-27-20(24-10-15-6-4-3-5-7-15)9-19(26-21(18)27)23-11-16-8-17(28)12-22-16;1-14(2)16-12-25-27-20(24-11-15-6-4-3-5-7-15)10-19(26-21(16)27)23-13-17-18(28)8-9-22-17/h4-8,10,14-16,18,23,25H,9,11-13H2,1-3H3,(H,24,27);5-9,11,14-15,17-18,23-24H,4,10,12-13H2,1-3H3,(H,26,27);3-8,10,13,16-17,20,22,24,28-29H,9,11-12H2,1-2H3,(H,23,26);2*3-7,9,12,14,16-17,22-23,28H,8,10-11,13H2,1-2H3,(H,25,26);3-7,9,13-14,16-17,22,24,28H,8,10-12H2,1-2H3,(H,23,26);3-7,10,12,14,17-18,22,24,28H,8-9,11,13H2,1-2H3,(H,23,26)/t16-,18+;17-,18+;16-,17+,20-;16?,17-;16-,17-;16-,17+;17-,18+/m1010101/s1.
What are the key properties of (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;[(2S)-4-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]pyrrolidin-2-yl]methanol;7-N-benzyl-5-N-[(3R,5S)-5-ethylpyrrolidin-3-yl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;7-N-benzyl-5-N-[[(2S,4R)-4-methylpyrrolidin-2-yl]methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine?
(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;[(2S)-4-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]pyrrolidin-2-yl]methanol;7-N-benzyl-5-N-[(3R,5S)-5-ethylpyrrolidin-3-yl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;7-N-benzyl-5-N-[[(2S,4R)-4-methylpyrrolidin-2-yl]methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine has a molecular weight of 2675.53 g/mol, XLogP of 19.86, 49 rotatable bonds, 27 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for (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;[(2S)-4-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]pyrrolidin-2-yl]methanol;7-N-benzyl-5-N-[(3R,5S)-5-ethylpyrrolidin-3-yl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;7-N-benzyl-5-N-[[(2S,4R)-4-methylpyrrolidin-2-yl]methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine is sourced from PubChem (CID 159150379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159150379 — identifiers, structure, computed properties (public domain)
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