(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

C106H142N30O5 — CID 158705471

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;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(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
InChIInChI=1S/C22H30N6.C21H28N6O2.3C21H28N6O/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;1-13(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;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);3-8,10,13,16-17,20,22,24,28-29H,9,11-12H2,1-2H3,(H,23,26);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+;16-,17+,20-;16-,17-;16-,17+;17-,18+/m11101/s1
InChIKeyIIBCUHLMHWUYNG-IXXOCOJWSA-N
MW1916.51 g/mol
LogP13.24
Rot. Bonds35

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;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;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 158705471) has the molecular formula C106H142N30O5 and a molecular weight of 1916.51 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;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;7-N-benzyl-5-N-[[(2S,4R)-4-methylpyrrolidin-2-yl]methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine
PubChem CID158705471
Molecular FormulaC106H142N30O5
Molecular Weight1916.51 g/mol
Exact Mass1915.18
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;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(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
InChIInChI=1S/C22H30N6.C21H28N6O2.3C21H28N6O/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;1-13(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;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);3-8,10,13,16-17,20,22,24,28-29H,9,11-12H2,1-2H3,(H,23,26);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+;16-,17+,20-;16-,17-;16-,17+;17-,18+/m11101/s1
InChIKeyIIBCUHLMHWUYNG-IXXOCOJWSA-N
XLogP13.24
TPSA432.55 Ų
H-Bond Donors20
H-Bond Acceptors35
Rotatable Bonds35
Heavy Atoms141
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001916.51
LogP ≤ 513.24
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1035

Analyze (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 with MolForge

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Launch Full Analysis

Related Compounds

(3S)-5,5-difluoro-1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]piperidin-3-amine;(1S,2S,6S)-2-fluoro-6-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;(1R,2R,6R)-2-fluoro-6-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 160536362
4-[5-(1,3-dimethylpyrazol-4-yl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-(2-piperidin-1-yl-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol
CID 162030654
CID 167617341
CID 167617341
2-[[4-(2-methoxyethyl)piperazin-1-yl]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-[(pyrrolidin-3-ylamino)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 89783306
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;8-propan-2-yl-4-N-[(2-pyrazol-1-ylphenyl)methyl]-2-N-pyrrolidin-3-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
CID 89783416
2-N-methyl-8-propan-2-yl-4-N-[(2-pyrazol-1-ylphenyl)methyl]-2-N-(2-pyrrolidin-1-ylethyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;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 89784045
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-(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-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 89784109
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-methyl-N-(2-morpholin-4-ylethyl)-8-propan-2-yl-4-[(2-pyrazol-1-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazine-2-carboxamide;N-methyl-8-propan-2-yl-4-[(2-pyrazol-1-ylphenyl)methylamino]-N-(2-pyrrolidin-1-ylethyl)pyrazolo[1,5-a][1,3,5]triazine-2-carboxamide;piperazin-1-yl-[8-propan-2-yl-4-[(2-pyrazol-1-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]methanone
CID 89784725
3-[[7-(Benzylamino)-3-[1-[2-[[7-(benzylamino)-3-[1-[2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]-3,4-dihydroxybutoxy]ethyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3,4-dihydroxybutoxy]ethyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]butane-1,2,4-triol
CID 91321076
2-[[[7-[[2-[2-[[[7-(Benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]-3-hydroxypyrrolidin-1-yl]phenyl]methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]pyrrolidine-3,4-diol
CID 123332899

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;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;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) 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;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;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;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(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.
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;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 IIBCUHLMHWUYNG-IXXOCOJWSA-N. The full InChI is InChI=1S/C22H30N6.C21H28N6O2.3C21H28N6O/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;1-13(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;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);3-8,10,13,16-17,20,22,24,28-29H,9,11-12H2,1-2H3,(H,23,26);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+;16-,17+,20-;16-,17-;16-,17+;17-,18+/m11101/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;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;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 1916.51 g/mol, XLogP of 13.24, 35 rotatable bonds, 20 hydrogen bond donors, and 35 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;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 158705471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).