(2S)-2-amino-3-[4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]propanoic acid;2-N-(2,5-dimethyl-4-piperidin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-[2-methoxy-5-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]-(1-methylpyrrolidin-2-yl)methanone;2-N-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;N-(4-piperidin-4-ylphenyl)-4-(3-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazin-2-amine
C159H181N43O20S6 — CID 159521552
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC(2S)-2-amino-3-[4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]propanoic acid;2-N-(2,5-dimethyl-4-piperidin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-[2-methoxy-5-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]-(1-methylpyrrolidin-2-yl)methanone;2-N-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;N-(4-piperidin-4-ylphenyl)-4-(3-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazin-2-amine
SMILESCC(C)S(=O)(=O)c1cccc(-c2nc(Nc3ccc(C4CCNCC4)cc3)nc3ccnn23)c1.CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(C[C@H](N)C(=O)O)cc2)nc2ccnn12.COc1cc(C2CCN(C(=O)C3CCCN3C)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)n2nccc2n1.COc1ccc(-c2nc(C)no2)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)n2nccc2n1.Cc1cc(-c2ccc(OC(C)C)c(Nc3nc(Nc4ccccc4S(=O)(=O)C(C)C)n4nccc4n3)c2)on1.Cc1cc(C2CCNCC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)n2nccc2n1
InChIInChI=1S/C33H42N8O4S.C27H29N7O4S.C27H33N7O2S.C25H28N6O2S.C24H24N8O4S.C23H25N7O4S/c1-21(2)46(43,44)29-11-7-6-9-25(29)36-33-38-32(37-30-12-15-34-41(30)33)35-26-19-22(3)24(20-28(26)45-5)23-13-17-40(18-14-23)31(42)27-10-8-16-39(27)4;1-16(2)37-22-11-10-19(23-14-18(5)33-38-23)15-21(22)29-26-31-25-12-13-28-34(25)27(32-26)30-20-8-6-7-9-24(20)39(35,36)17(3)4;1-17(2)37(35,36)24-8-6-5-7-22(24)31-27-33-26(32-25-11-14-29-34(25)27)30-23-16-18(3)21(15-19(23)4)20-9-12-28-13-10-20;1-17(2)34(32,33)22-5-3-4-20(16-22)24-30-25(29-23-12-15-27-31(23)24)28-21-8-6-18(7-9-21)19-10-13-26-14-11-19;1-14(2)37(33,34)20-8-6-5-7-17(20)28-24-30-23(29-21-11-12-25-32(21)24)27-18-13-16(9-10-19(18)35-4)22-26-15(3)31-36-22;1-14(2)35(33,34)19-6-4-3-5-18(19)27-23-29-22(28-20-11-12-25-30(20)23)26-16-9-7-15(8-10-16)13-17(24)21(31)32/h6-7,9,11-12,15,19-21,23,27H,8,10,13-14,16-18H2,1-5H3,(H2,35,36,37,38);6-17H,1-5H3,(H2,29,30,31,32);5-8,11,14-17,20,28H,9-10,12-13H2,1-4H3,(H2,30,31,32,33);3-9,12,15-17,19,26H,10-11,13-14H2,1-2H3,(H,28,29);5-14H,1-4H3,(H2,27,28,29,30);3-12,14,17H,13,24H2,1-2H3,(H,31,32)(H2,26,27,28,29)/t;;;;;17-/m.....0/s1
InChIKeyMBWDJBFRZOAIDD-WHBWDKNESA-N
MW3206.88 g/mol
LogP26.43
Rot. Bonds48
About (2S)-2-amino-3-[4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]propanoic acid;2-N-(2,5-dimethyl-4-piperidin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-[2-methoxy-5-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]-(1-methylpyrrolidin-2-yl)methanone;2-N-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;N-(4-piperidin-4-ylphenyl)-4-(3-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazin-2-amine
(2S)-2-amino-3-[4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]propanoic acid;2-N-(2,5-dimethyl-4-piperidin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-[2-methoxy-5-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]-(1-methylpyrrolidin-2-yl)methanone;2-N-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;N-(4-piperidin-4-ylphenyl)-4-(3-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazin-2-amine (PubChem CID 159521552) has the molecular formula C159H181N43O20S6 and a molecular weight of 3206.88 g/mol. Its IUPAC name is (2S)-2-amino-3-[4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]propanoic acid;2-N-(2,5-dimethyl-4-piperidin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-[2-methoxy-5-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]-(1-methylpyrrolidin-2-yl)methanone;2-N-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;N-(4-piperidin-4-ylphenyl)-4-(3-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazin-2-amine.
Molecular Properties
| Compound Name | (2S)-2-amino-3-[4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]propanoic acid;2-N-(2,5-dimethyl-4-piperidin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-[2-methoxy-5-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]-(1-methylpyrrolidin-2-yl)methanone;2-N-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;N-(4-piperidin-4-ylphenyl)-4-(3-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazin-2-amine |
|---|---|
| PubChem CID | 159521552 |
| Molecular Formula | C159H181N43O20S6 |
| Molecular Weight | 3206.88 g/mol |
| Exact Mass | 3204.28 |
| IUPAC Name | (2S)-2-amino-3-[4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]propanoic acid;2-N-(2,5-dimethyl-4-piperidin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-[2-methoxy-5-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]-(1-methylpyrrolidin-2-yl)methanone;2-N-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;N-(4-piperidin-4-ylphenyl)-4-(3-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazin-2-amine |
| SMILES | CC(C)S(=O)(=O)c1cccc(-c2nc(Nc3ccc(C4CCNCC4)cc3)nc3ccnn23)c1.CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(C[C@H](N)C(=O)O)cc2)nc2ccnn12.COc1cc(C2CCN(C(=O)C3CCCN3C)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)n2nccc2n1.COc1ccc(-c2nc(C)no2)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)n2nccc2n1.Cc1cc(-c2ccc(OC(C)C)c(Nc3nc(Nc4ccccc4S(=O)(=O)C(C)C)n4nccc4n3)c2)on1.Cc1cc(C2CCNCC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)n2nccc2n1 |
| InChI | InChI=1S/C33H42N8O4S.C27H29N7O4S.C27H33N7O2S.C25H28N6O2S.C24H24N8O4S.C23H25N7O4S/c1-21(2)46(43,44)29-11-7-6-9-25(29)36-33-38-32(37-30-12-15-34-41(30)33)35-26-19-22(3)24(20-28(26)45-5)23-13-17-40(18-14-23)31(42)27-10-8-16-39(27)4;1-16(2)37-22-11-10-19(23-14-18(5)33-38-23)15-21(22)29-26-31-25-12-13-28-34(25)27(32-26)30-20-8-6-7-9-24(20)39(35,36)17(3)4;1-17(2)37(35,36)24-8-6-5-7-22(24)31-27-33-26(32-25-11-14-29-34(25)27)30-23-16-18(3)21(15-19(23)4)20-9-12-28-13-10-20;1-17(2)34(32,33)22-5-3-4-20(16-22)24-30-25(29-23-12-15-27-31(23)24)28-21-8-6-18(7-9-21)19-10-13-26-14-11-19;1-14(2)37(33,34)20-8-6-5-7-17(20)28-24-30-23(29-21-11-12-25-32(21)24)27-18-13-16(9-10-19(18)35-4)22-26-15(3)31-36-22;1-14(2)35(33,34)19-6-4-3-5-18(19)27-23-29-22(28-20-11-12-25-30(20)23)26-16-9-7-15(8-10-16)13-17(24)21(31)32/h6-7,9,11-12,15,19-21,23,27H,8,10,13-14,16-18H2,1-5H3,(H2,35,36,37,38);6-17H,1-5H3,(H2,29,30,31,32);5-8,11,14-17,20,28H,9-10,12-13H2,1-4H3,(H2,30,31,32,33);3-9,12,15-17,19,26H,10-11,13-14H2,1-2H3,(H,28,29);5-14H,1-4H3,(H2,27,28,29,30);3-12,14,17H,13,24H2,1-2H3,(H,31,32)(H2,26,27,28,29)/t;;;;;17-/m.....0/s1 |
| InChIKey | MBWDJBFRZOAIDD-WHBWDKNESA-N |
| XLogP | 26.43 |
| TPSA | 799.22 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 61 |
| Rotatable Bonds | 48 |
| Heavy Atoms | 228 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3206.88 |
| LogP ≤ 5 | 26.43 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 61 |
Frequently Asked Questions
What is the IUPAC name of (2S)-2-amino-3-[4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]propanoic acid;2-N-(2,5-dimethyl-4-piperidin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-[2-methoxy-5-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]-(1-methylpyrrolidin-2-yl)methanone;2-N-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;N-(4-piperidin-4-ylphenyl)-4-(3-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazin-2-amine?
The IUPAC name of (2S)-2-amino-3-[4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]propanoic acid;2-N-(2,5-dimethyl-4-piperidin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-[2-methoxy-5-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]-(1-methylpyrrolidin-2-yl)methanone;2-N-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;N-(4-piperidin-4-ylphenyl)-4-(3-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazin-2-amine (CID 159521552) is (2S)-2-amino-3-[4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]propanoic acid;2-N-(2,5-dimethyl-4-piperidin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-[2-methoxy-5-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]-(1-methylpyrrolidin-2-yl)methanone;2-N-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;N-(4-piperidin-4-ylphenyl)-4-(3-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazin-2-amine.
What is the SMILES notation for (2S)-2-amino-3-[4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]propanoic acid;2-N-(2,5-dimethyl-4-piperidin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-[2-methoxy-5-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]-(1-methylpyrrolidin-2-yl)methanone;2-N-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;N-(4-piperidin-4-ylphenyl)-4-(3-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazin-2-amine?
The canonical SMILES for (2S)-2-amino-3-[4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]propanoic acid;2-N-(2,5-dimethyl-4-piperidin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-[2-methoxy-5-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]-(1-methylpyrrolidin-2-yl)methanone;2-N-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;N-(4-piperidin-4-ylphenyl)-4-(3-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazin-2-amine is CC(C)S(=O)(=O)c1cccc(-c2nc(Nc3ccc(C4CCNCC4)cc3)nc3ccnn23)c1.CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(C[C@H](N)C(=O)O)cc2)nc2ccnn12.COc1cc(C2CCN(C(=O)C3CCCN3C)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)n2nccc2n1.COc1ccc(-c2nc(C)no2)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)n2nccc2n1.Cc1cc(-c2ccc(OC(C)C)c(Nc3nc(Nc4ccccc4S(=O)(=O)C(C)C)n4nccc4n3)c2)on1.Cc1cc(C2CCNCC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)n2nccc2n1.
What is the InChIKey of (2S)-2-amino-3-[4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]propanoic acid;2-N-(2,5-dimethyl-4-piperidin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-[2-methoxy-5-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]-(1-methylpyrrolidin-2-yl)methanone;2-N-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;N-(4-piperidin-4-ylphenyl)-4-(3-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazin-2-amine?
The InChIKey is MBWDJBFRZOAIDD-WHBWDKNESA-N. The full InChI is InChI=1S/C33H42N8O4S.C27H29N7O4S.C27H33N7O2S.C25H28N6O2S.C24H24N8O4S.C23H25N7O4S/c1-21(2)46(43,44)29-11-7-6-9-25(29)36-33-38-32(37-30-12-15-34-41(30)33)35-26-19-22(3)24(20-28(26)45-5)23-13-17-40(18-14-23)31(42)27-10-8-16-39(27)4;1-16(2)37-22-11-10-19(23-14-18(5)33-38-23)15-21(22)29-26-31-25-12-13-28-34(25)27(32-26)30-20-8-6-7-9-24(20)39(35,36)17(3)4;1-17(2)37(35,36)24-8-6-5-7-22(24)31-27-33-26(32-25-11-14-29-34(25)27)30-23-16-18(3)21(15-19(23)4)20-9-12-28-13-10-20;1-17(2)34(32,33)22-5-3-4-20(16-22)24-30-25(29-23-12-15-27-31(23)24)28-21-8-6-18(7-9-21)19-10-13-26-14-11-19;1-14(2)37(33,34)20-8-6-5-7-17(20)28-24-30-23(29-21-11-12-25-32(21)24)27-18-13-16(9-10-19(18)35-4)22-26-15(3)31-36-22;1-14(2)35(33,34)19-6-4-3-5-18(19)27-23-29-22(28-20-11-12-25-30(20)23)26-16-9-7-15(8-10-16)13-17(24)21(31)32/h6-7,9,11-12,15,19-21,23,27H,8,10,13-14,16-18H2,1-5H3,(H2,35,36,37,38);6-17H,1-5H3,(H2,29,30,31,32);5-8,11,14-17,20,28H,9-10,12-13H2,1-4H3,(H2,30,31,32,33);3-9,12,15-17,19,26H,10-11,13-14H2,1-2H3,(H,28,29);5-14H,1-4H3,(H2,27,28,29,30);3-12,14,17H,13,24H2,1-2H3,(H,31,32)(H2,26,27,28,29)/t;;;;;17-/m.....0/s1.
What are the key properties of (2S)-2-amino-3-[4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]propanoic acid;2-N-(2,5-dimethyl-4-piperidin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-[2-methoxy-5-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]-(1-methylpyrrolidin-2-yl)methanone;2-N-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;N-(4-piperidin-4-ylphenyl)-4-(3-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazin-2-amine?
(2S)-2-amino-3-[4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]propanoic acid;2-N-(2,5-dimethyl-4-piperidin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-[2-methoxy-5-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]-(1-methylpyrrolidin-2-yl)methanone;2-N-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;N-(4-piperidin-4-ylphenyl)-4-(3-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazin-2-amine has a molecular weight of 3206.88 g/mol, XLogP of 26.43, 48 rotatable bonds, 15 hydrogen bond donors, and 61 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]propanoic acid;2-N-(2,5-dimethyl-4-piperidin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-[2-methoxy-5-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]-(1-methylpyrrolidin-2-yl)methanone;2-N-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;N-(4-piperidin-4-ylphenyl)-4-(3-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazin-2-amine is sourced from PubChem (CID 159521552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159521552 — identifiers, structure, computed properties (public domain)
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