2-[4-[6-acetyl-7-amino-3-[6-[1-(2-hydroxyethyl)pyrrol-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;2-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;2-[4-[7-amino-6-bromo-3-[6-(3-methoxypropoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;2-[4-[7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid

C102H106BrF4N21O13 — CID 159185156

IUPAC2-[4-[6-acetyl-7-amino-3-[6-[1-(2-hydroxyethyl)pyrrol-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;2-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;2-[4-[7-amino-6-bromo-3-[6-(3-methoxypropoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;2-[4-[7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid
SMILESCC(=O)c1c(C2CCC(C(F)C(=O)O)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.CC(=O)c1c(C2CCC(C(F)C(=O)O)CC2)nc2c(-c3ccc(-c4ccn(CCO)c4)nc3)cnn2c1N.COCCCOc1ccc(-c2cnn3c(N)c(Br)c(C4CCC(C(F)C(=O)O)CC4)nc23)cn1.Nc1cc(C2CCC(C(F)C(=O)O)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12
InChIInChI=1S/C27H29FN6O4.C27H26FN5O3.C25H24FN5O2.C23H27BrFN5O4/c1-15(36)22-24(17-4-2-16(3-5-17)23(28)27(37)38)32-26-20(13-31-34(26)25(22)29)18-6-7-21(30-12-18)19-8-9-33(14-19)10-11-35;1-15(34)22-24(18-9-7-17(8-10-18)23(28)27(35)36)32-26-20(14-31-33(26)25(22)29)19-11-12-21(30-13-19)16-5-3-2-4-6-16;26-23(25(32)33)17-8-6-16(7-9-17)21-12-22(27)31-24(30-21)19(14-29-31)18-10-11-20(28-13-18)15-4-2-1-3-5-15;1-33-9-2-10-34-17-8-7-15(11-27-17)16-12-28-30-21(26)18(24)20(29-22(16)30)14-5-3-13(4-6-14)19(25)23(31)32/h6-9,12-14,16-17,23,35H,2-5,10-11,29H2,1H3,(H,37,38);2-6,11-14,17-18,23H,7-10,29H2,1H3,(H,35,36);1-5,10-14,16-17,23H,6-9,27H2,(H,32,33);7-8,11-14,19H,2-6,9-10,26H2,1H3,(H,31,32)
InChIKeyKNJXBEAFYCBUCO-UHFFFAOYSA-N
MW1990.00 g/mol
LogP17.66
Rot. Bonds28

About 2-[4-[6-acetyl-7-amino-3-[6-[1-(2-hydroxyethyl)pyrrol-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;2-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;2-[4-[7-amino-6-bromo-3-[6-(3-methoxypropoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;2-[4-[7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid

2-[4-[6-acetyl-7-amino-3-[6-[1-(2-hydroxyethyl)pyrrol-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;2-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;2-[4-[7-amino-6-bromo-3-[6-(3-methoxypropoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;2-[4-[7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid (PubChem CID 159185156) has the molecular formula C102H106BrF4N21O13 and a molecular weight of 1990.00 g/mol. Its IUPAC name is 2-[4-[6-acetyl-7-amino-3-[6-[1-(2-hydroxyethyl)pyrrol-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;2-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;2-[4-[7-amino-6-bromo-3-[6-(3-methoxypropoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;2-[4-[7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid.

Molecular Properties

Compound Name2-[4-[6-acetyl-7-amino-3-[6-[1-(2-hydroxyethyl)pyrrol-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;2-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;2-[4-[7-amino-6-bromo-3-[6-(3-methoxypropoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;2-[4-[7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid
PubChem CID159185156
Molecular FormulaC102H106BrF4N21O13
Molecular Weight1990.00 g/mol
Exact Mass1987.74
IUPAC Name2-[4-[6-acetyl-7-amino-3-[6-[1-(2-hydroxyethyl)pyrrol-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;2-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;2-[4-[7-amino-6-bromo-3-[6-(3-methoxypropoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;2-[4-[7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid
SMILESCC(=O)c1c(C2CCC(C(F)C(=O)O)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.CC(=O)c1c(C2CCC(C(F)C(=O)O)CC2)nc2c(-c3ccc(-c4ccn(CCO)c4)nc3)cnn2c1N.COCCCOc1ccc(-c2cnn3c(N)c(Br)c(C4CCC(C(F)C(=O)O)CC4)nc23)cn1.Nc1cc(C2CCC(C(F)C(=O)O)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12
InChIInChI=1S/C27H29FN6O4.C27H26FN5O3.C25H24FN5O2.C23H27BrFN5O4/c1-15(36)22-24(17-4-2-16(3-5-17)23(28)27(37)38)32-26-20(13-31-34(26)25(22)29)18-6-7-21(30-12-18)19-8-9-33(14-19)10-11-35;1-15(34)22-24(18-9-7-17(8-10-18)23(28)27(35)36)32-26-20(14-31-33(26)25(22)29)19-11-12-21(30-13-19)16-5-3-2-4-6-16;26-23(25(32)33)17-8-6-16(7-9-17)21-12-22(27)31-24(30-21)19(14-29-31)18-10-11-20(28-13-18)15-4-2-1-3-5-15;1-33-9-2-10-34-17-8-7-15(11-27-17)16-12-28-30-21(26)18(24)20(29-22(16)30)14-5-3-13(4-6-14)19(25)23(31)32/h6-9,12-14,16-17,23,35H,2-5,10-11,29H2,1H3,(H,37,38);2-6,11-14,17-18,23H,7-10,29H2,1H3,(H,35,36);1-5,10-14,16-17,23H,6-9,27H2,(H,32,33);7-8,11-14,19H,2-6,9-10,26H2,1H3,(H,31,32)
InChIKeyKNJXBEAFYCBUCO-UHFFFAOYSA-N
XLogP17.66
TPSA503.36 Ų
H-Bond Donors9
H-Bond Acceptors30
Rotatable Bonds28
Heavy Atoms141
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001990.00
LogP ≤ 517.66
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze 2-[4-[6-acetyl-7-amino-3-[6-[1-(2-hydroxyethyl)pyrrol-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;2-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;2-[4-[7-amino-6-bromo-3-[6-(3-methoxypropoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;2-[4-[7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid with MolForge

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Related Compounds

3-bromo-5-cyclohexyl-N-[(1-oxidopyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-cyclohexyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[1-hydroxy-6-(2,2,2-trifluoroethoxy)pyridin-1-ium-3-yl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;[(1S,2R)-2-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]methanol;2-[(1S)-2-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]propan-2-ol
CID 157205293
3-(1-Benzyl-2-tert-butylpyrrolo[2,3-b]pyridin-4-yl)oxypropan-1-ol;3-(1-benzyl-2-tert-butylpyrrolo[2,3-b]pyridin-5-yl)oxypropan-1-ol;3-(1-benzyl-2-tert-butylpyrrolo[2,3-b]pyridin-6-yl)oxypropan-1-ol;2-tert-butyl-1-(cyclohexylmethyl)pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-(2-phenylethyl)pyrrolo[2,3-b]pyridine;4-[(2-tert-butylpyrrolo[2,3-b]pyridin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole
CID 158421887
[5-(3-acetyl-4-fluorophenyl)-6-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4,4,7,7-tetrafluoro-3-(trifluoromethyl)-5,6-dihydroindazol-1-yl]pentan-2-yl]-2-pyridinyl] acetate;1-[5-(3-acetyl-4-fluorophenyl)-4-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4,4,7,7-tetrafluoro-3-(trifluoromethyl)-5,6-dihydroindazol-1-yl]pentan-2-yl]pyrimidin-2-yl]piperidin-4-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-[4,4,7,7-tetrafluoro-3-(trifluoromethyl)-5,6-dihydroindazol-1-yl]pentan-2-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(dimethylamino)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-[4,4,7,7-tetrafluoro-3-(trifluoromethyl)-5,6-dihydroindazol-1-yl]pentan-2-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-[2-(2-methoxyethoxy)ethylamino]pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-[4,4,7,7-tetrafluoro-3-(trifluoromethyl)-5,6-dihydroindazol-1-yl]pentan-2-one
CID 158882932
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-hydroxy-3-(4-methylphenyl)propyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-(methylamino)-N-(3-phenylbutyl)pyridine-3-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(3-phenylbutyl)-2-propoxypyridine-3-carboxamide;2-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(3-phenylbutyl)pyridine-4-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(3-phenylbutyl)pyridine-3-carboxamide
CID 159182843
[5-(3-acetyl-4-fluorophenyl)-6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-2-pyridinyl] acetate;1-[5-(3-acetyl-4-fluorophenyl)-4-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]pyrimidin-2-yl]piperidin-4-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(dimethylamino)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-[2-(2-methoxyethoxy)ethylamino]pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one
CID 159193338
1-(6-cyclohexyloxy-2H-pyrazolo[3,4-b]pyridin-3-yl)-2-phenylethanone;1-(6-cyclohexyloxy-2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridin-4-ylethanone;1-(6-fluoro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-2-piperidin-3-ylethanone;1-(6-fluoro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-2-piperidin-4-ylethanone;1-(6-fluoro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-2-pyridin-4-ylethanone;1-(6-pentan-3-yloxy-2H-pyrazolo[3,4-b]pyridin-3-yl)-2-phenylethanone;1-(6-pentan-3-yloxy-2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridin-4-ylethanone;tris(2,2,2-trifluoroacetic acid);tris(1,1,1-trifluoropropan-2-one)
CID 160026942
6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxamide;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-7-carboxylic acid;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylic acid;N-[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]acetamide;[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]methanol
CID 160952792
3-(1,1-Difluoroethyl)-6-[6-(trifluoromethoxymethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxamide;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-7-carboxylic acid;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylic acid;[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]methanol
CID 161451549
(2R)-1-[4-[7-amino-6-bromo-3-[6-(5H-cyclopenta[b]pyridin-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-[4-(1,1-difluoroethoxy)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-(2,4-difluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-[6-(2-methylpyrazol-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one
CID 161506547
2-Cyclohexyl-1-[6-(cyclohexylmethoxy)-1-methylpyrazolo[5,4-b]pyridin-3-yl]ethanone;2-cyclohexyl-1-[1-methyl-6-(2-morpholin-4-ylethoxy)pyrazolo[5,4-b]pyridin-3-yl]ethanone;2-cyclohexyl-1-[1-methyl-6-(3-morpholin-4-ylpropoxy)pyrazolo[5,4-b]pyridin-3-yl]ethanone;2-cyclohexyl-1-[1-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrazolo[5,4-b]pyridin-3-yl]ethanone;2-cyclohexyl-1-[1-methyl-6-(pyrrolidin-2-ylmethoxy)pyrazolo[5,4-b]pyridin-3-yl]ethanone;hexakis(2,2,2-trifluoroacetic acid)
CID 161524335
3-(1-Benzyl-2-tert-butylpyrrolo[2,3-b]pyridin-4-yl)oxypropan-1-ol;3-(1-benzyl-2-tert-butylpyrrolo[2,3-b]pyridin-5-yl)oxypropan-1-ol;3-(1-benzyl-2-tert-butylpyrrolo[2,3-b]pyridin-6-yl)oxypropan-1-ol;2-tert-butyl-1-(cyclohexylmethyl)pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolo[2,3-b]pyridine;4-[(2-tert-butylpyrrolo[2,3-b]pyridin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole
CID 161767402
2-[4-[6-Acetyl-7-amino-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[6-acetyl-7-amino-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;2-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;1-[7-amino-5-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 157128337

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-acetyl-7-amino-3-[6-[1-(2-hydroxyethyl)pyrrol-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;2-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;2-[4-[7-amino-6-bromo-3-[6-(3-methoxypropoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;2-[4-[7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid?
The IUPAC name of 2-[4-[6-acetyl-7-amino-3-[6-[1-(2-hydroxyethyl)pyrrol-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;2-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;2-[4-[7-amino-6-bromo-3-[6-(3-methoxypropoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;2-[4-[7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid (CID 159185156) is 2-[4-[6-acetyl-7-amino-3-[6-[1-(2-hydroxyethyl)pyrrol-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;2-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;2-[4-[7-amino-6-bromo-3-[6-(3-methoxypropoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;2-[4-[7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid.
What is the SMILES notation for 2-[4-[6-acetyl-7-amino-3-[6-[1-(2-hydroxyethyl)pyrrol-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;2-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;2-[4-[7-amino-6-bromo-3-[6-(3-methoxypropoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;2-[4-[7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid?
The canonical SMILES for 2-[4-[6-acetyl-7-amino-3-[6-[1-(2-hydroxyethyl)pyrrol-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;2-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;2-[4-[7-amino-6-bromo-3-[6-(3-methoxypropoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;2-[4-[7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid is CC(=O)c1c(C2CCC(C(F)C(=O)O)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.CC(=O)c1c(C2CCC(C(F)C(=O)O)CC2)nc2c(-c3ccc(-c4ccn(CCO)c4)nc3)cnn2c1N.COCCCOc1ccc(-c2cnn3c(N)c(Br)c(C4CCC(C(F)C(=O)O)CC4)nc23)cn1.Nc1cc(C2CCC(C(F)C(=O)O)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.
What is the InChIKey of 2-[4-[6-acetyl-7-amino-3-[6-[1-(2-hydroxyethyl)pyrrol-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;2-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;2-[4-[7-amino-6-bromo-3-[6-(3-methoxypropoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;2-[4-[7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid?
The InChIKey is KNJXBEAFYCBUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN6O4.C27H26FN5O3.C25H24FN5O2.C23H27BrFN5O4/c1-15(36)22-24(17-4-2-16(3-5-17)23(28)27(37)38)32-26-20(13-31-34(26)25(22)29)18-6-7-21(30-12-18)19-8-9-33(14-19)10-11-35;1-15(34)22-24(18-9-7-17(8-10-18)23(28)27(35)36)32-26-20(14-31-33(26)25(22)29)19-11-12-21(30-13-19)16-5-3-2-4-6-16;26-23(25(32)33)17-8-6-16(7-9-17)21-12-22(27)31-24(30-21)19(14-29-31)18-10-11-20(28-13-18)15-4-2-1-3-5-15;1-33-9-2-10-34-17-8-7-15(11-27-17)16-12-28-30-21(26)18(24)20(29-22(16)30)14-5-3-13(4-6-14)19(25)23(31)32/h6-9,12-14,16-17,23,35H,2-5,10-11,29H2,1H3,(H,37,38);2-6,11-14,17-18,23H,7-10,29H2,1H3,(H,35,36);1-5,10-14,16-17,23H,6-9,27H2,(H,32,33);7-8,11-14,19H,2-6,9-10,26H2,1H3,(H,31,32).
What are the key properties of 2-[4-[6-acetyl-7-amino-3-[6-[1-(2-hydroxyethyl)pyrrol-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;2-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;2-[4-[7-amino-6-bromo-3-[6-(3-methoxypropoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;2-[4-[7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid?
2-[4-[6-acetyl-7-amino-3-[6-[1-(2-hydroxyethyl)pyrrol-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;2-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;2-[4-[7-amino-6-bromo-3-[6-(3-methoxypropoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;2-[4-[7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid has a molecular weight of 1990.00 g/mol, XLogP of 17.66, 28 rotatable bonds, 9 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-acetyl-7-amino-3-[6-[1-(2-hydroxyethyl)pyrrol-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;2-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;2-[4-[7-amino-6-bromo-3-[6-(3-methoxypropoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;2-[4-[7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid is sourced from PubChem (CID 159185156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).