About (3S,4S)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-chloro-4-[5-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine;(2S,4R)-8-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;(2R,4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-4-methyl-8-azaspiro[4.5]decane;(4R)-8-[8-[(2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-4-methyl-8-azaspiro[4.5]decane
(3S,4S)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-chloro-4-[5-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine;(2S,4R)-8-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;(2R,4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-4-methyl-8-azaspiro[4.5]decane;(4R)-8-[8-[(2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-4-methyl-8-azaspiro[4.5]decane (PubChem CID 167671455) has the molecular formula C131H150Cl9F3N32OS5
and a molecular weight of 2725.27 g/mol. Its IUPAC name is (3S,4S)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-chloro-4-[5-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine;(2S,4R)-8-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;(2R,4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-4-methyl-8-azaspiro[4.5]decane;(4R)-8-[8-[(2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-4-methyl-8-azaspiro[4.5]decane.
Frequently Asked Questions
What is the IUPAC name of (3S,4S)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-chloro-4-[5-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine;(2S,4R)-8-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;(2R,4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-4-methyl-8-azaspiro[4.5]decane;(4R)-8-[8-[(2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-4-methyl-8-azaspiro[4.5]decane?
The IUPAC name of (3S,4S)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-chloro-4-[5-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine;(2S,4R)-8-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;(2R,4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-4-methyl-8-azaspiro[4.5]decane;(4R)-8-[8-[(2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-4-methyl-8-azaspiro[4.5]decane (CID 167671455) is (3S,4S)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-chloro-4-[5-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine;(2S,4R)-8-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;(2R,4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-4-methyl-8-azaspiro[4.5]decane;(4R)-8-[8-[(2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-4-methyl-8-azaspiro[4.5]decane.
What is the SMILES notation for (3S,4S)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-chloro-4-[5-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine;(2S,4R)-8-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;(2R,4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-4-methyl-8-azaspiro[4.5]decane;(4R)-8-[8-[(2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-4-methyl-8-azaspiro[4.5]decane?
The canonical SMILES for (3S,4S)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-chloro-4-[5-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine;(2S,4R)-8-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;(2R,4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-4-methyl-8-azaspiro[4.5]decane;(4R)-8-[8-[(2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-4-methyl-8-azaspiro[4.5]decane is C[C@@H]1CCCC12CCN(c1ncc(Sc3cccc(Cl)c3Cl)c3nccn13)CC2.C[C@@H]1CCCC12CCN(c1ncc(Sc3ccnc(Cl)c3Cl)c3nccn13)CC2.C[C@@H]1CCCC12CCN(c1ncc(Sc3ccnc(N)c3Cl)c3nccn13)CC2.C[C@H]1C[C@@H](N)C2(CCN(c3ncc(Sc4cccc(Cl)c4Cl)c4nccn34)CC2)C1.Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)n2ccnc2c1Sc1cc(N)ncc1C(F)(F)F.Cc1nc(N2CCC3(CC2)C[C@H](C)C[C@H]3N)n2ccnc2c1-c1cccc(Cl)c1Cl.
What is the InChIKey of (3S,4S)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-chloro-4-[5-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine;(2S,4R)-8-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;(2R,4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-4-methyl-8-azaspiro[4.5]decane;(4R)-8-[8-[(2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-4-methyl-8-azaspiro[4.5]decane?
The InChIKey is UEDZMALZSFCFMS-YEONEEQBSA-N. The full InChI is InChI=1S/C23H27Cl2N5.C22H25Cl2N5S.C22H24Cl2N4S.C22H26F3N7OS.C21H23Cl2N5S.C21H25ClN6S/c1-14-12-18(26)23(13-14)6-9-29(10-7-23)22-28-15(2)19(21-27-8-11-30(21)22)16-4-3-5-17(24)20(16)25;1-14-11-18(25)22(12-14)5-8-28(9-6-22)21-27-13-17(20-26-7-10-29(20)21)30-16-4-2-3-15(23)19(16)24;1-15-4-3-7-22(15)8-11-27(12-9-22)21-26-14-18(20-25-10-13-28(20)21)29-17-6-2-5-16(23)19(17)24;1-12-17(34-15-9-16(26)29-10-14(15)22(23,24)25)19-28-5-8-32(19)20(30-12)31-6-3-21(4-7-31)11-33-13(2)18(21)27;2*1-14-3-2-5-21(14)6-10-27(11-7-21)20-26-13-16(19-25-9-12-28(19)20)29-15-4-8-24-18(23)17(15)22/h3-5,8,11,14,18H,6-7,9-10,12-13,26H2,1-2H3;2-4,7,10,13-14,18H,5-6,8-9,11-12,25H2,1H3;2,5-6,10,13-15H,3-4,7-9,11-12H2,1H3;5,8-10,13,18H,3-4,6-7,11,27H2,1-2H3,(H2,26,29);4,8-9,12-14H,2-3,5-7,10-11H2,1H3;4,8-9,12-14H,2-3,5-7,10-11H2,1H3,(H2,23,24)/t14-,18-;14-,18+;15-;13-,18+;2*14-/m101011/s1.
What are the key properties of (3S,4S)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-chloro-4-[5-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine;(2S,4R)-8-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;(2R,4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-4-methyl-8-azaspiro[4.5]decane;(4R)-8-[8-[(2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-4-methyl-8-azaspiro[4.5]decane?
(3S,4S)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-chloro-4-[5-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine;(2S,4R)-8-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;(2R,4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-4-methyl-8-azaspiro[4.5]decane;(4R)-8-[8-[(2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-4-methyl-8-azaspiro[4.5]decane has a molecular weight of 2725.27 g/mol, XLogP of 31.90, 17 rotatable bonds, 5 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-chloro-4-[5-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine;(2S,4R)-8-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;(2R,4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-4-methyl-8-azaspiro[4.5]decane;(4R)-8-[8-[(2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-4-methyl-8-azaspiro[4.5]decane is sourced from PubChem (CID 167671455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).