About (4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]pentan-1-ol;2-[(4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]pentoxy]-5-iodobenzoic acid;[(4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]pentyl] acetate;5-cyclopropyl-1H-imidazole;(7S)-15-(4-cyclopropylimidazol-1-yl)-7-methyl-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;(7S)-15-iodo-7-methyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;methane;methyl 2-[(4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]pentoxy]-5-iodobenzoate;methyl 2-hydroxy-5-iodobenzoate;phosphoryl trichloride;sulfane
(4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]pentan-1-ol;2-[(4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]pentoxy]-5-iodobenzoic acid;[(4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]pentyl] acetate;5-cyclopropyl-1H-imidazole;(7S)-15-(4-cyclopropylimidazol-1-yl)-7-methyl-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;(7S)-15-iodo-7-methyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;methane;methyl 2-[(4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]pentoxy]-5-iodobenzoate;methyl 2-hydroxy-5-iodobenzoate;phosphoryl trichloride;sulfane (PubChem CID 158148200) has the molecular formula C125H153Cl3I4N33O17PS6
and a molecular weight of 3227.16 g/mol. Its IUPAC name is (4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]pentan-1-ol;2-[(4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]pentoxy]-5-iodobenzoic acid;[(4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]pentyl] acetate;5-cyclopropyl-1H-imidazole;(7S)-15-(4-cyclopropylimidazol-1-yl)-7-methyl-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;(7S)-15-iodo-7-methyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;methane;methyl 2-[(4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]pentoxy]-5-iodobenzoate;methyl 2-hydroxy-5-iodobenzoate;phosphoryl trichloride;sulfane.
Frequently Asked Questions
What is the IUPAC name of (4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]pentan-1-ol;2-[(4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]pentoxy]-5-iodobenzoic acid;[(4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]pentyl] acetate;5-cyclopropyl-1H-imidazole;(7S)-15-(4-cyclopropylimidazol-1-yl)-7-methyl-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;(7S)-15-iodo-7-methyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;methane;methyl 2-[(4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]pentoxy]-5-iodobenzoate;methyl 2-hydroxy-5-iodobenzoate;phosphoryl trichloride;sulfane?
The IUPAC name of (4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]pentan-1-ol;2-[(4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]pentoxy]-5-iodobenzoic acid;[(4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]pentyl] acetate;5-cyclopropyl-1H-imidazole;(7S)-15-(4-cyclopropylimidazol-1-yl)-7-methyl-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;(7S)-15-iodo-7-methyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;methane;methyl 2-[(4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]pentoxy]-5-iodobenzoate;methyl 2-hydroxy-5-iodobenzoate;phosphoryl trichloride;sulfane (CID 158148200) is (4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]pentan-1-ol;2-[(4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]pentoxy]-5-iodobenzoic acid;[(4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]pentyl] acetate;5-cyclopropyl-1H-imidazole;(7S)-15-(4-cyclopropylimidazol-1-yl)-7-methyl-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;(7S)-15-iodo-7-methyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;methane;methyl 2-[(4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]pentoxy]-5-iodobenzoate;methyl 2-hydroxy-5-iodobenzoate;phosphoryl trichloride;sulfane.
What is the SMILES notation for (4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]pentan-1-ol;2-[(4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]pentoxy]-5-iodobenzoic acid;[(4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]pentyl] acetate;5-cyclopropyl-1H-imidazole;(7S)-15-(4-cyclopropylimidazol-1-yl)-7-methyl-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;(7S)-15-iodo-7-methyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;methane;methyl 2-[(4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]pentoxy]-5-iodobenzoate;methyl 2-hydroxy-5-iodobenzoate;phosphoryl trichloride;sulfane?
The canonical SMILES for (4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]pentan-1-ol;2-[(4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]pentoxy]-5-iodobenzoic acid;[(4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]pentyl] acetate;5-cyclopropyl-1H-imidazole;(7S)-15-(4-cyclopropylimidazol-1-yl)-7-methyl-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;(7S)-15-iodo-7-methyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;methane;methyl 2-[(4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]pentoxy]-5-iodobenzoate;methyl 2-hydroxy-5-iodobenzoate;phosphoryl trichloride;sulfane is C.CC(=O)OCCC[C@H](C)n1cnnc1-c1cccc(N)n1.COC(=O)c1cc(I)ccc1O.COC(=O)c1cc(I)ccc1OCCC[C@H](C)n1cnnc1-c1cccc(N)n1.C[C@@H](CCCO)n1cnnc1-c1cccc(N)n1.C[C@@H](CCCOc1ccc(I)cc1C(=O)O)n1cnnc1-c1cccc(N)n1.C[C@H]1CCCOc2ccc(-n3cnc(C4CC4)c3)cc2C(=O)Nc2cccc(n2)-c2nccn21.C[C@H]1CCCOc2ccc(I)cc2C(=O)Nc2cccc(n2)-c2nncn21.O=P(Cl)(Cl)Cl.S.S.S.S.S.S.c1ncc(C2CC2)[nH]1.
What is the InChIKey of (4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]pentan-1-ol;2-[(4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]pentoxy]-5-iodobenzoic acid;[(4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]pentyl] acetate;5-cyclopropyl-1H-imidazole;(7S)-15-(4-cyclopropylimidazol-1-yl)-7-methyl-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;(7S)-15-iodo-7-methyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;methane;methyl 2-[(4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]pentoxy]-5-iodobenzoate;methyl 2-hydroxy-5-iodobenzoate;phosphoryl trichloride;sulfane?
The InChIKey is FUTUREHDNYXQFF-KOTYCILKSA-N. The full InChI is InChI=1S/C26H26N6O2.C20H22IN5O3.C19H20IN5O3.C19H18IN5O2.C14H19N5O2.C12H17N5O.C8H7IO3.C6H8N2.CH4.Cl3OP.6H2S/c1-17-4-3-13-34-23-10-9-19(31-15-22(28-16-31)18-7-8-18)14-20(23)26(33)30-24-6-2-5-21(29-24)25-27-11-12-32(17)25;1-13(26-12-23-25-19(26)16-6-3-7-18(22)24-16)5-4-10-29-17-9-8-14(21)11-15(17)20(27)28-2;1-12(25-11-22-24-18(25)15-5-2-6-17(21)23-15)4-3-9-28-16-8-7-13(20)10-14(16)19(26)27;1-12-4-3-9-27-16-8-7-13(20)10-14(16)19(26)23-17-6-2-5-15(22-17)18-24-21-11-25(12)18;1-10(5-4-8-21-11(2)20)19-9-16-18-14(19)12-6-3-7-13(15)17-12;1-9(4-3-7-18)17-8-14-16-12(17)10-5-2-6-11(13)15-10;1-12-8(11)6-4-5(9)2-3-7(6)10;1-2-5(1)6-3-7-4-8-6;;1-5(2,3)4;;;;;;/h2,5-6,9-12,14-18H,3-4,7-8,13H2,1H3,(H,29,30,33);3,6-9,11-13H,4-5,10H2,1-2H3,(H2,22,24);2,5-8,10-12H,3-4,9H2,1H3,(H2,21,23)(H,26,27);2,5-8,10-12H,3-4,9H2,1H3,(H,22,23,26);3,6-7,9-10H,4-5,8H2,1-2H3,(H2,15,17);2,5-6,8-9,18H,3-4,7H2,1H3,(H2,13,15);2-4,10H,1H3;3-5H,1-2H2,(H,7,8);1H4;;6*1H2/t17-;13-;2*12-;10-;9-;;;;;;;;;;/m000000........../s1.
What are the key properties of (4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]pentan-1-ol;2-[(4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]pentoxy]-5-iodobenzoic acid;[(4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]pentyl] acetate;5-cyclopropyl-1H-imidazole;(7S)-15-(4-cyclopropylimidazol-1-yl)-7-methyl-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;(7S)-15-iodo-7-methyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;methane;methyl 2-[(4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]pentoxy]-5-iodobenzoate;methyl 2-hydroxy-5-iodobenzoate;phosphoryl trichloride;sulfane?
(4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]pentan-1-ol;2-[(4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]pentoxy]-5-iodobenzoic acid;[(4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]pentyl] acetate;5-cyclopropyl-1H-imidazole;(7S)-15-(4-cyclopropylimidazol-1-yl)-7-methyl-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;(7S)-15-iodo-7-methyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;methane;methyl 2-[(4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]pentoxy]-5-iodobenzoate;methyl 2-hydroxy-5-iodobenzoate;phosphoryl trichloride;sulfane has a molecular weight of 3227.16 g/mol, XLogP of 26.58, 31 rotatable bonds, 10 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]pentan-1-ol;2-[(4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]pentoxy]-5-iodobenzoic acid;[(4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]pentyl] acetate;5-cyclopropyl-1H-imidazole;(7S)-15-(4-cyclopropylimidazol-1-yl)-7-methyl-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;(7S)-15-iodo-7-methyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;methane;methyl 2-[(4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]pentoxy]-5-iodobenzoate;methyl 2-hydroxy-5-iodobenzoate;phosphoryl trichloride;sulfane is sourced from PubChem (CID 158148200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).