About (3R,4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;[(2S,4R)-4-amino-8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-yl] 2-methylpropanoate;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(4R)-2,2-difluoro-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(2S,4R)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]-6-[(4S)-4-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine
(3R,4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;[(2S,4R)-4-amino-8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-yl] 2-methylpropanoate;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(4R)-2,2-difluoro-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(2S,4R)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]-6-[(4S)-4-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine (PubChem CID 160833638) has the molecular formula C115H147Cl7F3N37O5S6
and a molecular weight of 2625.26 g/mol. Its IUPAC name is (3R,4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;[(2S,4R)-4-amino-8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-yl] 2-methylpropanoate;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(4R)-2,2-difluoro-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(2S,4R)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]-6-[(4S)-4-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine.
Frequently Asked Questions
What is the IUPAC name of (3R,4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;[(2S,4R)-4-amino-8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-yl] 2-methylpropanoate;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(4R)-2,2-difluoro-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(2S,4R)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]-6-[(4S)-4-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine?
The IUPAC name of (3R,4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;[(2S,4R)-4-amino-8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-yl] 2-methylpropanoate;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(4R)-2,2-difluoro-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(2S,4R)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]-6-[(4S)-4-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine (CID 160833638) is (3R,4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;[(2S,4R)-4-amino-8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-yl] 2-methylpropanoate;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(4R)-2,2-difluoro-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(2S,4R)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]-6-[(4S)-4-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine.
What is the SMILES notation for (3R,4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;[(2S,4R)-4-amino-8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-yl] 2-methylpropanoate;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(4R)-2,2-difluoro-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(2S,4R)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]-6-[(4S)-4-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine?
The canonical SMILES for (3R,4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;[(2S,4R)-4-amino-8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-yl] 2-methylpropanoate;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(4R)-2,2-difluoro-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(2S,4R)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]-6-[(4S)-4-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine is CC(C)C(=O)O[C@@H]1C[C@@H](N)C2(CCN(c3cnc(Sc4ccnc(Cl)c4Cl)c(N)n3)CC2)C1.C[C@@H]1CC(F)(F)CC12CCN(c1cnc(Sc3ccnc(N)c3Cl)c(N)n1)CC2.C[C@@H]1COCC12CCN(c1cnc(Sc3ccnc(F)c3Cl)c(N)n1)CC2.C[C@@H]1OCC2(CCN(c3cnc(Sc4ccnc(N)c4Cl)c(N)n3)CC2)[C@@H]1N.C[C@H]1C[C@@H](C)C2(CCN(c3cnc(Sc4ccnc(N)c4Cl)c(N)n3)CC2)C1.C[C@H]1OCC2(CCN(c3cnc(Sc4ccnc(N)c4Cl)c(N)n3)CC2)[C@@H]1N.
What is the InChIKey of (3R,4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;[(2S,4R)-4-amino-8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-yl] 2-methylpropanoate;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(4R)-2,2-difluoro-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(2S,4R)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]-6-[(4S)-4-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine?
The InChIKey is SHDACGOXGWRDIJ-UXEVUQJRSA-N. The full InChI is InChI=1S/C22H28Cl2N6O2S.C20H27ClN6S.C19H23ClF2N6S.C18H21ClFN5OS.2C18H24ClN7OS/c1-12(2)21(31)32-13-9-15(25)22(10-13)4-7-30(8-5-22)16-11-28-20(19(26)29-16)33-14-3-6-27-18(24)17(14)23;1-12-9-13(2)20(10-12)4-7-27(8-5-20)15-11-25-19(18(23)26-15)28-14-3-6-24-17(22)16(14)21;1-11-8-19(21,22)10-18(11)3-6-28(7-4-18)13-9-26-17(16(24)27-13)29-12-2-5-25-15(23)14(12)20;1-11-9-26-10-18(11)3-6-25(7-4-18)13-8-23-17(16(21)24-13)27-12-2-5-22-15(20)14(12)19;2*1-10-14(20)18(9-27-10)3-6-26(7-4-18)12-8-24-17(16(22)25-12)28-11-2-5-23-15(21)13(11)19/h3,6,11-13,15H,4-5,7-10,25H2,1-2H3,(H2,26,29);3,6,11-13H,4-5,7-10H2,1-2H3,(H2,22,24)(H2,23,26);2,5,9,11H,3-4,6-8,10H2,1H3,(H2,23,25)(H2,24,27);2,5,8,11H,3-4,6-7,9-10H2,1H3,(H2,21,24);2*2,5,8,10,14H,3-4,6-7,9,20H2,1H3,(H2,21,23)(H2,22,25)/t13-,15-;12-,13+;2*11-;10-,14+;10-,14-/m101101/s1.
What are the key properties of (3R,4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;[(2S,4R)-4-amino-8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-yl] 2-methylpropanoate;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(4R)-2,2-difluoro-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(2S,4R)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]-6-[(4S)-4-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine?
(3R,4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;[(2S,4R)-4-amino-8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-yl] 2-methylpropanoate;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(4R)-2,2-difluoro-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(2S,4R)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]-6-[(4S)-4-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine has a molecular weight of 2625.26 g/mol, XLogP of 21.17, 20 rotatable bonds, 13 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;[(2S,4R)-4-amino-8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-yl] 2-methylpropanoate;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(4R)-2,2-difluoro-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(2S,4R)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]-6-[(4S)-4-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine is sourced from PubChem (CID 160833638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).