(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

C154H233Cl2F5N28O17Si2 — CID 157064057

IUPAC(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
SMILESC1CCOC1.CC(C)(C)OC(=O)NCCCCC[C@@H](N)CO[Si](C)(C)C(C)(C)C.CC(C)c1cnn2c(N(Cc3ccccc3F)C(=O)OC(C)(C)C)cc(Cl)nc12.CC(C)c1cnn2c(N(Cc3ccccc3F)C(=O)OC(C)(C)C)cc(N[C@@H](CO)CCCCCNC(=O)OC(C)(C)C)nc12.CC(C)c1cnn2c(N(Cc3ccccc3F)C(=O)OC(C)(C)C)cc(N[C@H](CCCCCNC(=O)OC(C)(C)C)CO[Si](C)(C)C(C)(C)C)nc12.CC(C)c1cnn2c(NCc3ccccc3F)cc(Cl)nc12.CC(C)c1cnn2c(NCc3ccccc3F)cc(N[C@@H](CO)CCCCCN)nc12
InChIInChI=1S/C39H63FN6O5Si.C33H49FN6O5.C23H33FN6O.C21H24ClFN4O2.C18H40N2O3Si.C16H16ClFN4.C4H8O/c1-27(2)30-24-42-46-33(45(36(48)51-38(6,7)8)25-28-19-16-17-21-31(28)40)23-32(44-34(30)46)43-29(26-49-52(12,13)39(9,10)11)20-15-14-18-22-41-35(47)50-37(3,4)5;1-22(2)25-19-36-40-28(39(31(43)45-33(6,7)8)20-23-14-11-12-16-26(23)34)18-27(38-29(25)40)37-24(21-41)15-10-9-13-17-35-30(42)44-32(3,4)5;1-16(2)19-14-27-30-22(26-13-17-8-5-6-10-20(17)24)12-21(29-23(19)30)28-18(15-31)9-4-3-7-11-25;1-13(2)15-11-24-27-18(10-17(22)25-19(15)27)26(20(28)29-21(3,4)5)12-14-8-6-7-9-16(14)23;1-17(2,3)23-16(21)20-13-11-9-10-12-15(19)14-22-24(7,8)18(4,5)6;1-10(2)12-9-20-22-15(7-14(17)21-16(12)22)19-8-11-5-3-4-6-13(11)18;1-2-4-5-3-1/h16-17,19,21,23-24,27,29H,14-15,18,20,22,25-26H2,1-13H3,(H,41,47)(H,43,44);11-12,14,16,18-19,22,24,41H,9-10,13,15,17,20-21H2,1-8H3,(H,35,42)(H,37,38);5-6,8,10,12,14,16,18,26,31H,3-4,7,9,11,13,15,25H2,1-2H3,(H,28,29);6-11,13H,12H2,1-5H3;15H,9-14,19H2,1-8H3,(H,20,21);3-7,9-10,19H,8H2,1-2H3;1-4H2/t29-;24-;18-;;15-;;/m111.1../s1
InChIKeyABQXTSBENDMRHG-KKKHUPOLSA-N
MW2970.80 g/mol
LogP35.57
Rot. Bonds57

About (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

(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 (PubChem CID 157064057) has the molecular formula C154H233Cl2F5N28O17Si2 and a molecular weight of 2970.80 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID157064057
Molecular FormulaC154H233Cl2F5N28O17Si2
Molecular Weight2970.80 g/mol
Exact Mass2967.71
IUPAC Name(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
SMILESC1CCOC1.CC(C)(C)OC(=O)NCCCCC[C@@H](N)CO[Si](C)(C)C(C)(C)C.CC(C)c1cnn2c(N(Cc3ccccc3F)C(=O)OC(C)(C)C)cc(Cl)nc12.CC(C)c1cnn2c(N(Cc3ccccc3F)C(=O)OC(C)(C)C)cc(N[C@@H](CO)CCCCCNC(=O)OC(C)(C)C)nc12.CC(C)c1cnn2c(N(Cc3ccccc3F)C(=O)OC(C)(C)C)cc(N[C@H](CCCCCNC(=O)OC(C)(C)C)CO[Si](C)(C)C(C)(C)C)nc12.CC(C)c1cnn2c(NCc3ccccc3F)cc(Cl)nc12.CC(C)c1cnn2c(NCc3ccccc3F)cc(N[C@@H](CO)CCCCCN)nc12
InChIInChI=1S/C39H63FN6O5Si.C33H49FN6O5.C23H33FN6O.C21H24ClFN4O2.C18H40N2O3Si.C16H16ClFN4.C4H8O/c1-27(2)30-24-42-46-33(45(36(48)51-38(6,7)8)25-28-19-16-17-21-31(28)40)23-32(44-34(30)46)43-29(26-49-52(12,13)39(9,10)11)20-15-14-18-22-41-35(47)50-37(3,4)5;1-22(2)25-19-36-40-28(39(31(43)45-33(6,7)8)20-23-14-11-12-16-26(23)34)18-27(38-29(25)40)37-24(21-41)15-10-9-13-17-35-30(42)44-32(3,4)5;1-16(2)19-14-27-30-22(26-13-17-8-5-6-10-20(17)24)12-21(29-23(19)30)28-18(15-31)9-4-3-7-11-25;1-13(2)15-11-24-27-18(10-17(22)25-19(15)27)26(20(28)29-21(3,4)5)12-14-8-6-7-9-16(14)23;1-17(2,3)23-16(21)20-13-11-9-10-12-15(19)14-22-24(7,8)18(4,5)6;1-10(2)12-9-20-22-15(7-14(17)21-16(12)22)19-8-11-5-3-4-6-13(11)18;1-2-4-5-3-1/h16-17,19,21,23-24,27,29H,14-15,18,20,22,25-26H2,1-13H3,(H,41,47)(H,43,44);11-12,14,16,18-19,22,24,41H,9-10,13,15,17,20-21H2,1-8H3,(H,35,42)(H,37,38);5-6,8,10,12,14,16,18,26,31H,3-4,7,9,11,13,15,25H2,1-2H3,(H,28,29);6-11,13H,12H2,1-5H3;15H,9-14,19H2,1-8H3,(H,20,21);3-7,9-10,19H,8H2,1-2H3;1-4H2/t29-;24-;18-;;15-;;/m111.1../s1
InChIKeyABQXTSBENDMRHG-KKKHUPOLSA-N
XLogP35.57
TPSA534.90 Ų
H-Bond Donors12
H-Bond Acceptors39
Rotatable Bonds57
Heavy Atoms208
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002970.80
LogP ≤ 535.57
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (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 with MolForge

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Launch Full Analysis

Related Compounds

CID 157208219
CID 157208219
N-benzyl-5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;7-N-benzyl-5-N,3-di(propan-2-yl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;tert-butyl N-benzyl-N-(5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)carbamate;tert-butyl N-benzyl-N-[3-propan-2-yl-5-(propan-2-ylamino)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate;oxolane;propan-2-amine
CID 158894831
2-[(2S)-1-[7-[(3-aminophenyl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;tert-butyl N-[3-(aminomethyl)phenyl]carbamate;tert-butyl N-[3-[[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]carbamate;5,7-dichloro-3-ethylpyrazolo[1,5-a]pyrimidine;N-[3-[[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]prop-2-enamide;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride
CID 160173932
2-[(2S)-1-[7-[(3-aminocyclohexyl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;tert-butyl N-[3-(aminomethyl)phenyl]carbamate;tert-butyl N-[3-[[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]carbamate;5,7-dichloro-3-ethylpyrazolo[1,5-a]pyrimidine;N-[3-[[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]prop-2-enamide;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride
CID 160339192
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
2-[(2S)-1-[7-[(3-aminophenyl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;tert-butyl N-[3-(aminomethyl)phenyl]carbamate;tert-butyl N-[3-[[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]carbamate;5,7-dichloro-3-ethylpyrazolo[1,5-a]pyrimidine;N-[3-[[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]prop-2-enamide;methane;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride
CID 161107200
2-[2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]ethoxy]ethanol;tert-butyl N-benzyl-N-[5-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]carbamate;tert-butyl N-benzyl-N-(5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)carbamate;2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethanamine
CID 162029670
tert-butyl (3R,4R)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate;tert-butyl N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(3-isocyanophenyl)carbamate;tert-butyl N-[3-cyclopropyl-5-[[(1R,2S)-2-hydroxycyclohexyl]methylamino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-isocyanophenyl)carbamate;(3R,4R)-4-[[[3-cyclopropyl-7-(3-isocyanoanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;methane
CID 164991453
tert-butyl (3R,4R)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate;tert-butyl N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(3-fluorophenyl)carbamate;tert-butyl N-[3-cyclopropyl-5-[[(1R,2S)-2-hydroxycyclohexyl]methylamino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-fluorophenyl)carbamate;(3R,4R)-4-[[[3-cyclopropyl-7-(3-fluoroanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;methane
CID 164992031
tert-butyl (3S,4S)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate;tert-butyl N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(3,5-difluorophenyl)carbamate;cis-(1R,2S)-2-[[[3-cyclopropyl-7-[(3,5-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]cyclohexan-1-ol;(3S,4S)-4-[[[3-cyclopropyl-7-(3,5-difluoroanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;methane
CID 164992222
tert-butyl (3R,4R)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate;tert-butyl N-(5-chloro-3-cyclobutylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(3-fluorophenyl)carbamate;tert-butyl N-[3-cyclobutyl-5-[[(1R,2S)-2-hydroxycyclohexyl]methylamino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-fluorophenyl)carbamate;(3R,4R)-4-[[[3-cyclobutyl-7-(3-fluoroanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;methane
CID 165016583
tert-butyl (3R,4R)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate;tert-butyl N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(3-isocyano-5-methylphenyl)carbamate;tert-butyl N-[3-cyclopropyl-5-[[(1R,2S)-2-hydroxycyclohexyl]methylamino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-isocyano-5-methylphenyl)carbamate;5-chloro-3-cyclopropyl-N-(3-isocyano-5-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;(3R,4R)-4-[[[3-cyclopropyl-7-(3-isocyano-5-methylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;5,7-dichloro-3-cyclopropylpyrazolo[1,5-a]pyrimidine;3-isocyano-5-methylaniline;methane
CID 165027064

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C1CCOC1.CC(C)(C)OC(=O)NCCCCC[C@@H](N)CO[Si](C)(C)C(C)(C)C.CC(C)c1cnn2c(N(Cc3ccccc3F)C(=O)OC(C)(C)C)cc(Cl)nc12.CC(C)c1cnn2c(N(Cc3ccccc3F)C(=O)OC(C)(C)C)cc(N[C@@H](CO)CCCCCNC(=O)OC(C)(C)C)nc12.CC(C)c1cnn2c(N(Cc3ccccc3F)C(=O)OC(C)(C)C)cc(N[C@H](CCCCCNC(=O)OC(C)(C)C)CO[Si](C)(C)C(C)(C)C)nc12.CC(C)c1cnn2c(NCc3ccccc3F)cc(Cl)nc12.CC(C)c1cnn2c(NCc3ccccc3F)cc(N[C@@H](CO)CCCCCN)nc12.
What is the InChIKey of (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?
The InChIKey is ABQXTSBENDMRHG-KKKHUPOLSA-N. The full InChI is InChI=1S/C39H63FN6O5Si.C33H49FN6O5.C23H33FN6O.C21H24ClFN4O2.C18H40N2O3Si.C16H16ClFN4.C4H8O/c1-27(2)30-24-42-46-33(45(36(48)51-38(6,7)8)25-28-19-16-17-21-31(28)40)23-32(44-34(30)46)43-29(26-49-52(12,13)39(9,10)11)20-15-14-18-22-41-35(47)50-37(3,4)5;1-22(2)25-19-36-40-28(39(31(43)45-33(6,7)8)20-23-14-11-12-16-26(23)34)18-27(38-29(25)40)37-24(21-41)15-10-9-13-17-35-30(42)44-32(3,4)5;1-16(2)19-14-27-30-22(26-13-17-8-5-6-10-20(17)24)12-21(29-23(19)30)28-18(15-31)9-4-3-7-11-25;1-13(2)15-11-24-27-18(10-17(22)25-19(15)27)26(20(28)29-21(3,4)5)12-14-8-6-7-9-16(14)23;1-17(2,3)23-16(21)20-13-11-9-10-12-15(19)14-22-24(7,8)18(4,5)6;1-10(2)12-9-20-22-15(7-14(17)21-16(12)22)19-8-11-5-3-4-6-13(11)18;1-2-4-5-3-1/h16-17,19,21,23-24,27,29H,14-15,18,20,22,25-26H2,1-13H3,(H,41,47)(H,43,44);11-12,14,16,18-19,22,24,41H,9-10,13,15,17,20-21H2,1-8H3,(H,35,42)(H,37,38);5-6,8,10,12,14,16,18,26,31H,3-4,7,9,11,13,15,25H2,1-2H3,(H,28,29);6-11,13H,12H2,1-5H3;15H,9-14,19H2,1-8H3,(H,20,21);3-7,9-10,19H,8H2,1-2H3;1-4H2/t29-;24-;18-;;15-;;/m111.1../s1.
What are the key properties of (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?
(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 has a molecular weight of 2970.80 g/mol, XLogP of 35.57, 57 rotatable bonds, 12 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 157064057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).