1-[4-[(3S)-3-[5-amino-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]pyrrolidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;[(2S)-2-(5-amino-8-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-4,4-difluoropyrrolidin-1-yl]-cyclopropylmethanone;2-[5-amino-7-phenyl-2-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]propan-2-ol;cis-(1R,3R)-3-[8-amino-5-methyl-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-1-methylcyclohexan-1-ol;trans-(1S,3R)-3-[8-amino-5-methyl-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-1-methylcyclohexan-1-ol;trans-(1R,3S)-3-[5-amino-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-1-methylcyclohexan-1-ol

C109H130F5N39O10 — CID 163536809

IUPAC1-[4-[(3S)-3-[5-amino-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]pyrrolidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;[(2S)-2-(5-amino-8-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-4,4-difluoropyrrolidin-1-yl]-cyclopropylmethanone;2-[5-amino-7-phenyl-2-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]propan-2-ol;cis-(1R,3R)-3-[8-amino-5-methyl-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-1-methylcyclohexan-1-ol;trans-(1S,3R)-3-[8-amino-5-methyl-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-1-methylcyclohexan-1-ol;trans-(1R,3S)-3-[5-amino-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-1-methylcyclohexan-1-ol
SMILESCC(C)(O)c1c(-c2ccccc2)nc(N)n2nc([C@@H]3CCCN(CC(F)(F)F)C3)nc12.Cc1c(-c2ccccc2)nc(N)n2nc([C@@H]3CC(F)(F)CN3C(=O)C3CC3)nc12.Cc1c(-c2ncco2)nc(N)c2nc([C@@H]3CCC[C@@](C)(O)C3)nn12.Cc1c(-c2ncco2)nc(N)c2nc([C@@H]3CCC[C@](C)(O)C3)nn12.Cc1c(-c2ncco2)nc(N)n2nc([C@H]3CCC[C@@](C)(O)C3)nc12.Cc1c(-c2ncco2)nc(N)n2nc([C@H]3CCN(c4cnn(CC(C)(C)O)c4)C3)nc12
InChIInChI=1S/C21H25F3N6O.C20H20F2N6O.C20H25N9O2.3C16H20N6O2/c1-20(2,31)15-16(13-7-4-3-5-8-13)26-19(25)30-18(15)27-17(28-30)14-9-6-10-29(11-14)12-21(22,23)24;1-11-15(12-5-3-2-4-6-12)24-19(23)28-17(11)25-16(26-28)14-9-20(21,22)10-27(14)18(29)13-7-8-13;1-12-15(18-22-5-7-31-18)24-19(21)29-17(12)25-16(26-29)13-4-6-27(9-13)14-8-23-28(10-14)11-20(2,3)30;2*1-9-11(15-18-6-7-24-15)19-12(17)14-20-13(21-22(9)14)10-4-3-5-16(2,23)8-10;1-9-11(14-18-6-7-24-14)19-15(17)22-13(9)20-12(21-22)10-4-3-5-16(2,23)8-10/h3-5,7-8,14,31H,6,9-12H2,1-2H3,(H2,25,26);2-6,13-14H,7-10H2,1H3,(H2,23,24);5,7-8,10,13,30H,4,6,9,11H2,1-3H3,(H2,21,24);3*6-7,10,23H,3-5,8H2,1-2H3,(H2,17,19)/t2*14-;13-;10-,16+;10-,16-;10-,16+/m100110/s1
InChIKeyDXRRPHFUOCCFSP-YRSUCHEASA-N
MW2241.49 g/mol
LogP14.21
Rot. Bonds18

About 1-[4-[(3S)-3-[5-amino-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]pyrrolidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;[(2S)-2-(5-amino-8-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-4,4-difluoropyrrolidin-1-yl]-cyclopropylmethanone;2-[5-amino-7-phenyl-2-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]propan-2-ol;cis-(1R,3R)-3-[8-amino-5-methyl-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-1-methylcyclohexan-1-ol;trans-(1S,3R)-3-[8-amino-5-methyl-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-1-methylcyclohexan-1-ol;trans-(1R,3S)-3-[5-amino-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-1-methylcyclohexan-1-ol

1-[4-[(3S)-3-[5-amino-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]pyrrolidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;[(2S)-2-(5-amino-8-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-4,4-difluoropyrrolidin-1-yl]-cyclopropylmethanone;2-[5-amino-7-phenyl-2-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]propan-2-ol;cis-(1R,3R)-3-[8-amino-5-methyl-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-1-methylcyclohexan-1-ol;trans-(1S,3R)-3-[8-amino-5-methyl-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-1-methylcyclohexan-1-ol;trans-(1R,3S)-3-[5-amino-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-1-methylcyclohexan-1-ol (PubChem CID 163536809) has the molecular formula C109H130F5N39O10 and a molecular weight of 2241.49 g/mol. Its IUPAC name is 1-[4-[(3S)-3-[5-amino-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]pyrrolidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;[(2S)-2-(5-amino-8-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-4,4-difluoropyrrolidin-1-yl]-cyclopropylmethanone;2-[5-amino-7-phenyl-2-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]propan-2-ol;cis-(1R,3R)-3-[8-amino-5-methyl-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-1-methylcyclohexan-1-ol;trans-(1S,3R)-3-[8-amino-5-methyl-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-1-methylcyclohexan-1-ol;trans-(1R,3S)-3-[5-amino-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-1-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[4-[(3S)-3-[5-amino-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]pyrrolidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;[(2S)-2-(5-amino-8-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-4,4-difluoropyrrolidin-1-yl]-cyclopropylmethanone;2-[5-amino-7-phenyl-2-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]propan-2-ol;cis-(1R,3R)-3-[8-amino-5-methyl-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-1-methylcyclohexan-1-ol;trans-(1S,3R)-3-[8-amino-5-methyl-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-1-methylcyclohexan-1-ol;trans-(1R,3S)-3-[5-amino-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-1-methylcyclohexan-1-ol
PubChem CID163536809
Molecular FormulaC109H130F5N39O10
Molecular Weight2241.49 g/mol
Exact Mass2240.08
IUPAC Name1-[4-[(3S)-3-[5-amino-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]pyrrolidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;[(2S)-2-(5-amino-8-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-4,4-difluoropyrrolidin-1-yl]-cyclopropylmethanone;2-[5-amino-7-phenyl-2-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]propan-2-ol;cis-(1R,3R)-3-[8-amino-5-methyl-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-1-methylcyclohexan-1-ol;trans-(1S,3R)-3-[8-amino-5-methyl-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-1-methylcyclohexan-1-ol;trans-(1R,3S)-3-[5-amino-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-1-methylcyclohexan-1-ol
SMILESCC(C)(O)c1c(-c2ccccc2)nc(N)n2nc([C@@H]3CCCN(CC(F)(F)F)C3)nc12.Cc1c(-c2ccccc2)nc(N)n2nc([C@@H]3CC(F)(F)CN3C(=O)C3CC3)nc12.Cc1c(-c2ncco2)nc(N)c2nc([C@@H]3CCC[C@@](C)(O)C3)nn12.Cc1c(-c2ncco2)nc(N)c2nc([C@@H]3CCC[C@](C)(O)C3)nn12.Cc1c(-c2ncco2)nc(N)n2nc([C@H]3CCC[C@@](C)(O)C3)nc12.Cc1c(-c2ncco2)nc(N)n2nc([C@H]3CCN(c4cnn(CC(C)(C)O)c4)C3)nc12
InChIInChI=1S/C21H25F3N6O.C20H20F2N6O.C20H25N9O2.3C16H20N6O2/c1-20(2,31)15-16(13-7-4-3-5-8-13)26-19(25)30-18(15)27-17(28-30)14-9-6-10-29(11-14)12-21(22,23)24;1-11-15(12-5-3-2-4-6-12)24-19(23)28-17(11)25-16(26-28)14-9-20(21,22)10-27(14)18(29)13-7-8-13;1-12-15(18-22-5-7-31-18)24-19(21)29-17(12)25-16(26-29)13-4-6-27(9-13)14-8-23-28(10-14)11-20(2,3)30;2*1-9-11(15-18-6-7-24-15)19-12(17)14-20-13(21-22(9)14)10-4-3-5-16(2,23)8-10;1-9-11(14-18-6-7-24-14)19-15(17)22-13(9)20-12(21-22)10-4-3-5-16(2,23)8-10/h3-5,7-8,14,31H,6,9-12H2,1-2H3,(H2,25,26);2-6,13-14H,7-10H2,1H3,(H2,23,24);5,7-8,10,13,30H,4,6,9,11H2,1-3H3,(H2,21,24);3*6-7,10,23H,3-5,8H2,1-2H3,(H2,17,19)/t2*14-;13-;10-,16+;10-,16-;10-,16+/m100110/s1
InChIKeyDXRRPHFUOCCFSP-YRSUCHEASA-N
XLogP14.21
TPSA664.48 Ų
H-Bond Donors11
H-Bond Acceptors48
Rotatable Bonds18
Heavy Atoms163
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002241.49
LogP ≤ 514.21
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1048

Analyze 1-[4-[(3S)-3-[5-amino-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]pyrrolidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;[(2S)-2-(5-amino-8-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-4,4-difluoropyrrolidin-1-yl]-cyclopropylmethanone;2-[5-amino-7-phenyl-2-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]propan-2-ol;cis-(1R,3R)-3-[8-amino-5-methyl-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-1-methylcyclohexan-1-ol;trans-(1S,3R)-3-[8-amino-5-methyl-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-1-methylcyclohexan-1-ol;trans-(1R,3S)-3-[5-amino-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-1-methylcyclohexan-1-ol with MolForge

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Related Compounds

[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone;(3,3-difluoroazetidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[(3R)-3-fluoropyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3R)-3-pyrazol-1-ylpyrrolidin-1-yl]methanone;N-methyl-6-(2-methyl-1,3-benzoxazol-5-yl)-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 157093503
2-(2-amino-4-pyridinyl)-N-[1-(4-tert-butylphenyl)-3-carbamoylpyrazol-4-yl]-1,3-oxazole-4-carboxamide;N-[1-(4-tert-butylphenyl)-3-carbamoylpyrazol-4-yl]-1,3-oxazole-4-carboxamide;N-[1-(4-tert-butylphenyl)-3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-[1-(4-tert-butylphenyl)-3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-[1-(4-tert-butylphenyl)-3-(3-hydroxypropyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-[3-(difluoromethyl)-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide
CID 157273039
1-cyclopropyl-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[3,4-d]pyrimidine-4-carboxamide;6-[2,4-difluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;3-(difluoromethyl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;5-(difluoromethyl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;4-(4-fluoropyrazol-1-yl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-7-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-4-carboxamide
CID 157723290
3-amino-6-[2,3-difluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;1-cyclopropyl-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[3,4-d]pyrimidine-4-carboxamide;6-[2,4-difluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;4-(4-fluoropyrazol-1-yl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;3-hydroxy-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-7-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-4-carboxamide
CID 157774780
CID 158938763
CID 158938763
2-cyclopropyl-5-[4-[6-(trifluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;3-ethyl-7-[4-[6-(trifluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;3-[2-[(3R)-3-methoxypyrrolidin-1-yl]-4-pyridinyl]-5-(trifluoromethoxy)-1H-isoindole;2-methyl-5-[4-[6-(trifluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;[(3S)-1-[4-[6-(trifluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]pyrrolidin-3-yl]methanol
CID 159235343
N-[3-(aminomethyl)-1-(4-tert-butylphenyl)pyrazol-4-yl]-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-(3-tert-butyl-1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-(3-tert-butyl-1-methylpyrazol-4-yl)-2-pyridin-4-yl-1,3-oxazole-4-carboxamide;N-[1-(4-tert-butylphenyl)-3-carbamoylpyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;N-[1-(4-tert-butylphenyl)-3-(difluoromethyl)pyrazol-4-yl]-2-pyridin-4-yl-1,3-oxazole-4-carboxamide;N-[1-(4-tert-butylphenyl)-3-(difluoromethyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide
CID 159240517
1-cyclopropyl-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[3,4-d]pyrimidine-4-carboxamide;6-[2,4-difluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;3-(difluoromethyl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;5-(difluoromethyl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;4-(4-fluoropyrazol-1-yl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-7-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-4-carboxamide;methane
CID 159349338
4-[3-[2-(2-aminoethoxy)ethoxy]propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-(cyclopropylmethyl)-N-[4-[4-[[1-[3-[[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethylamino]methyl]phenyl]-3-(trifluoromethyl)pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]carbamate;tert-butyl N-(cyclopropylmethyl)-N-[4-[4-[[1-(3-formylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]carbamate;tert-butyl N-(cyclopropylmethyl)-N-[4-[4-[[1-[3-(hydroxymethyl)phenyl]-3-(trifluoromethyl)pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]carbamate;2-[2-(2-cyclopropylethyl)-4-pyridinyl]-N-[1-[3-[[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethylamino]methyl]phenyl]-3-(trifluoromethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide
CID 159536933
CID 159897275
CID 159897275
CID 160427482
CID 160427482
CID 161348184
CID 161348184

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3S)-3-[5-amino-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]pyrrolidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;[(2S)-2-(5-amino-8-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-4,4-difluoropyrrolidin-1-yl]-cyclopropylmethanone;2-[5-amino-7-phenyl-2-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]propan-2-ol;cis-(1R,3R)-3-[8-amino-5-methyl-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-1-methylcyclohexan-1-ol;trans-(1S,3R)-3-[8-amino-5-methyl-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-1-methylcyclohexan-1-ol;trans-(1R,3S)-3-[5-amino-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-1-methylcyclohexan-1-ol?
The IUPAC name of 1-[4-[(3S)-3-[5-amino-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]pyrrolidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;[(2S)-2-(5-amino-8-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-4,4-difluoropyrrolidin-1-yl]-cyclopropylmethanone;2-[5-amino-7-phenyl-2-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]propan-2-ol;cis-(1R,3R)-3-[8-amino-5-methyl-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-1-methylcyclohexan-1-ol;trans-(1S,3R)-3-[8-amino-5-methyl-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-1-methylcyclohexan-1-ol;trans-(1R,3S)-3-[5-amino-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-1-methylcyclohexan-1-ol (CID 163536809) is 1-[4-[(3S)-3-[5-amino-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]pyrrolidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;[(2S)-2-(5-amino-8-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-4,4-difluoropyrrolidin-1-yl]-cyclopropylmethanone;2-[5-amino-7-phenyl-2-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]propan-2-ol;cis-(1R,3R)-3-[8-amino-5-methyl-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-1-methylcyclohexan-1-ol;trans-(1S,3R)-3-[8-amino-5-methyl-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-1-methylcyclohexan-1-ol;trans-(1R,3S)-3-[5-amino-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-1-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[4-[(3S)-3-[5-amino-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]pyrrolidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;[(2S)-2-(5-amino-8-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-4,4-difluoropyrrolidin-1-yl]-cyclopropylmethanone;2-[5-amino-7-phenyl-2-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]propan-2-ol;cis-(1R,3R)-3-[8-amino-5-methyl-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-1-methylcyclohexan-1-ol;trans-(1S,3R)-3-[8-amino-5-methyl-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-1-methylcyclohexan-1-ol;trans-(1R,3S)-3-[5-amino-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-1-methylcyclohexan-1-ol?
The canonical SMILES for 1-[4-[(3S)-3-[5-amino-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]pyrrolidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;[(2S)-2-(5-amino-8-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-4,4-difluoropyrrolidin-1-yl]-cyclopropylmethanone;2-[5-amino-7-phenyl-2-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]propan-2-ol;cis-(1R,3R)-3-[8-amino-5-methyl-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-1-methylcyclohexan-1-ol;trans-(1S,3R)-3-[8-amino-5-methyl-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-1-methylcyclohexan-1-ol;trans-(1R,3S)-3-[5-amino-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-1-methylcyclohexan-1-ol is CC(C)(O)c1c(-c2ccccc2)nc(N)n2nc([C@@H]3CCCN(CC(F)(F)F)C3)nc12.Cc1c(-c2ccccc2)nc(N)n2nc([C@@H]3CC(F)(F)CN3C(=O)C3CC3)nc12.Cc1c(-c2ncco2)nc(N)c2nc([C@@H]3CCC[C@@](C)(O)C3)nn12.Cc1c(-c2ncco2)nc(N)c2nc([C@@H]3CCC[C@](C)(O)C3)nn12.Cc1c(-c2ncco2)nc(N)n2nc([C@H]3CCC[C@@](C)(O)C3)nc12.Cc1c(-c2ncco2)nc(N)n2nc([C@H]3CCN(c4cnn(CC(C)(C)O)c4)C3)nc12.
What is the InChIKey of 1-[4-[(3S)-3-[5-amino-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]pyrrolidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;[(2S)-2-(5-amino-8-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-4,4-difluoropyrrolidin-1-yl]-cyclopropylmethanone;2-[5-amino-7-phenyl-2-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]propan-2-ol;cis-(1R,3R)-3-[8-amino-5-methyl-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-1-methylcyclohexan-1-ol;trans-(1S,3R)-3-[8-amino-5-methyl-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-1-methylcyclohexan-1-ol;trans-(1R,3S)-3-[5-amino-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-1-methylcyclohexan-1-ol?
The InChIKey is DXRRPHFUOCCFSP-YRSUCHEASA-N. The full InChI is InChI=1S/C21H25F3N6O.C20H20F2N6O.C20H25N9O2.3C16H20N6O2/c1-20(2,31)15-16(13-7-4-3-5-8-13)26-19(25)30-18(15)27-17(28-30)14-9-6-10-29(11-14)12-21(22,23)24;1-11-15(12-5-3-2-4-6-12)24-19(23)28-17(11)25-16(26-28)14-9-20(21,22)10-27(14)18(29)13-7-8-13;1-12-15(18-22-5-7-31-18)24-19(21)29-17(12)25-16(26-29)13-4-6-27(9-13)14-8-23-28(10-14)11-20(2,3)30;2*1-9-11(15-18-6-7-24-15)19-12(17)14-20-13(21-22(9)14)10-4-3-5-16(2,23)8-10;1-9-11(14-18-6-7-24-14)19-15(17)22-13(9)20-12(21-22)10-4-3-5-16(2,23)8-10/h3-5,7-8,14,31H,6,9-12H2,1-2H3,(H2,25,26);2-6,13-14H,7-10H2,1H3,(H2,23,24);5,7-8,10,13,30H,4,6,9,11H2,1-3H3,(H2,21,24);3*6-7,10,23H,3-5,8H2,1-2H3,(H2,17,19)/t2*14-;13-;10-,16+;10-,16-;10-,16+/m100110/s1.
What are the key properties of 1-[4-[(3S)-3-[5-amino-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]pyrrolidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;[(2S)-2-(5-amino-8-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-4,4-difluoropyrrolidin-1-yl]-cyclopropylmethanone;2-[5-amino-7-phenyl-2-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]propan-2-ol;cis-(1R,3R)-3-[8-amino-5-methyl-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-1-methylcyclohexan-1-ol;trans-(1S,3R)-3-[8-amino-5-methyl-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-1-methylcyclohexan-1-ol;trans-(1R,3S)-3-[5-amino-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-1-methylcyclohexan-1-ol?
1-[4-[(3S)-3-[5-amino-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]pyrrolidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;[(2S)-2-(5-amino-8-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-4,4-difluoropyrrolidin-1-yl]-cyclopropylmethanone;2-[5-amino-7-phenyl-2-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]propan-2-ol;cis-(1R,3R)-3-[8-amino-5-methyl-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-1-methylcyclohexan-1-ol;trans-(1S,3R)-3-[8-amino-5-methyl-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-1-methylcyclohexan-1-ol;trans-(1R,3S)-3-[5-amino-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-1-methylcyclohexan-1-ol has a molecular weight of 2241.49 g/mol, XLogP of 14.21, 18 rotatable bonds, 11 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3S)-3-[5-amino-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]pyrrolidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;[(2S)-2-(5-amino-8-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-4,4-difluoropyrrolidin-1-yl]-cyclopropylmethanone;2-[5-amino-7-phenyl-2-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]propan-2-ol;cis-(1R,3R)-3-[8-amino-5-methyl-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-1-methylcyclohexan-1-ol;trans-(1S,3R)-3-[8-amino-5-methyl-6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-1-methylcyclohexan-1-ol;trans-(1R,3S)-3-[5-amino-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-1-methylcyclohexan-1-ol is sourced from PubChem (CID 163536809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).