(3S,4S)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-chloro-4-[[8-(4,4-dimethylpiperidin-1-yl)-6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]sulfanyl]pyridin-2-amine;3-chloro-4-[[4-(4,4-dimethylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-c]pyridin-7-yl]sulfanyl]pyridin-2-amine;(3S,4S)-8-[5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane

C113H149Cl7N42O5S14 — CID 158343970

IUPAC(3S,4S)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-chloro-4-[[8-(4,4-dimethylpiperidin-1-yl)-6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]sulfanyl]pyridin-2-amine;3-chloro-4-[[4-(4,4-dimethylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-c]pyridin-7-yl]sulfanyl]pyridin-2-amine;(3S,4S)-8-[5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane
SMILESCC1(C)CCN(c2ncc(Sc3ccnc(N)c3Cl)c3nonc23)CC1.C[C@@H]1OCC2(CCN(c3ncc(-c4cccc(Cl)c4Cl)n4ncnc34)CC2)[C@@H]1N.C[C@@H]1OCC2(CCN(c3ncc(Sc4ccnc(N)c4Cl)c4nsnc34)CC2)[C@@H]1N.C[C@@H]1OCC2(CCN(c3ncc(Sc4ccnc(N)c4Cl)n4ncnc34)CC2)[C@@H]1N.Cc1nc(N2CCC(C)(C)CC2)c2nncn2c1Sc1ccnc(N)c1Cl.Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)c2nncn2c1Sc1ccnc(N)c1Cl.S.S.S.S.S.S.S.S
InChIInChI=1S/C20H22Cl2N6O.C20H25ClN8OS.C19H23ClN8OS.C19H22ClN7OS2.C18H22ClN7S.C17H19ClN6OS.8H2S/c1-12-17(23)20(10-29-12)5-7-27(8-6-20)18-19-25-11-26-28(19)15(9-24-18)13-3-2-4-14(21)16(13)22;1-11-19(31-13-3-6-24-16(23)14(13)21)29-10-25-27-18(29)17(26-11)28-7-4-20(5-8-28)9-30-12(2)15(20)22;1-11-15(21)19(9-29-11)3-6-27(7-4-19)17-18-25-10-26-28(18)13(8-24-17)30-12-2-5-23-16(22)14(12)20;1-10-16(21)19(9-28-10)3-6-27(7-4-19)18-15-14(25-30-26-15)12(8-24-18)29-11-2-5-23-17(22)13(11)20;1-11-17(27-12-4-7-21-14(20)13(12)19)26-10-22-24-16(26)15(23-11)25-8-5-18(2,3)6-9-25;1-17(2)4-7-24(8-5-17)16-14-13(22-25-23-14)11(9-21-16)26-10-3-6-20-15(19)12(10)18;;;;;;;;/h2-4,9,11-12,17H,5-8,10,23H2,1H3;3,6,10,12,15H,4-5,7-9,22H2,1-2H3,(H2,23,24);2,5,8,10-11,15H,3-4,6-7,9,21H2,1H3,(H2,22,23);2,5,8,10,16H,3-4,6-7,9,21H2,1H3,(H2,22,23);4,7,10H,5-6,8-9H2,1-3H3,(H2,20,21);3,6,9H,4-5,7-8H2,1-2H3,(H2,19,20);8*1H2/t12-,17+;12-,15+;11-,15+;10-,16+;;;;;;;;;;/m0000........../s1
InChIKeyGRMSMZZAUMHMOM-YZNGLSHJSA-N
MW2872.83 g/mol
LogP20.19
Rot. Bonds17

About (3S,4S)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-chloro-4-[[8-(4,4-dimethylpiperidin-1-yl)-6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]sulfanyl]pyridin-2-amine;3-chloro-4-[[4-(4,4-dimethylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-c]pyridin-7-yl]sulfanyl]pyridin-2-amine;(3S,4S)-8-[5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane

(3S,4S)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-chloro-4-[[8-(4,4-dimethylpiperidin-1-yl)-6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]sulfanyl]pyridin-2-amine;3-chloro-4-[[4-(4,4-dimethylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-c]pyridin-7-yl]sulfanyl]pyridin-2-amine;(3S,4S)-8-[5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane (PubChem CID 158343970) has the molecular formula C113H149Cl7N42O5S14 and a molecular weight of 2872.83 g/mol. Its IUPAC name is (3S,4S)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-chloro-4-[[8-(4,4-dimethylpiperidin-1-yl)-6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]sulfanyl]pyridin-2-amine;3-chloro-4-[[4-(4,4-dimethylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-c]pyridin-7-yl]sulfanyl]pyridin-2-amine;(3S,4S)-8-[5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane.

Molecular Properties

Compound Name(3S,4S)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-chloro-4-[[8-(4,4-dimethylpiperidin-1-yl)-6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]sulfanyl]pyridin-2-amine;3-chloro-4-[[4-(4,4-dimethylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-c]pyridin-7-yl]sulfanyl]pyridin-2-amine;(3S,4S)-8-[5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane
PubChem CID158343970
Molecular FormulaC113H149Cl7N42O5S14
Molecular Weight2872.83 g/mol
Exact Mass2866.66
IUPAC Name(3S,4S)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-chloro-4-[[8-(4,4-dimethylpiperidin-1-yl)-6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]sulfanyl]pyridin-2-amine;3-chloro-4-[[4-(4,4-dimethylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-c]pyridin-7-yl]sulfanyl]pyridin-2-amine;(3S,4S)-8-[5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane
SMILESCC1(C)CCN(c2ncc(Sc3ccnc(N)c3Cl)c3nonc23)CC1.C[C@@H]1OCC2(CCN(c3ncc(-c4cccc(Cl)c4Cl)n4ncnc34)CC2)[C@@H]1N.C[C@@H]1OCC2(CCN(c3ncc(Sc4ccnc(N)c4Cl)c4nsnc34)CC2)[C@@H]1N.C[C@@H]1OCC2(CCN(c3ncc(Sc4ccnc(N)c4Cl)n4ncnc34)CC2)[C@@H]1N.Cc1nc(N2CCC(C)(C)CC2)c2nncn2c1Sc1ccnc(N)c1Cl.Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)c2nncn2c1Sc1ccnc(N)c1Cl.S.S.S.S.S.S.S.S
InChIInChI=1S/C20H22Cl2N6O.C20H25ClN8OS.C19H23ClN8OS.C19H22ClN7OS2.C18H22ClN7S.C17H19ClN6OS.8H2S/c1-12-17(23)20(10-29-12)5-7-27(8-6-20)18-19-25-11-26-28(19)15(9-24-18)13-3-2-4-14(21)16(13)22;1-11-19(31-13-3-6-24-16(23)14(13)21)29-10-25-27-18(29)17(26-11)28-7-4-20(5-8-28)9-30-12(2)15(20)22;1-11-15(21)19(9-29-11)3-6-27(7-4-19)17-18-25-10-26-28(18)13(8-24-17)30-12-2-5-23-16(22)14(12)20;1-10-16(21)19(9-28-10)3-6-27(7-4-19)18-15-14(25-30-26-15)12(8-24-18)29-11-2-5-23-17(22)13(11)20;1-11-17(27-12-4-7-21-14(20)13(12)19)26-10-22-24-16(26)15(23-11)25-8-5-18(2,3)6-9-25;1-17(2)4-7-24(8-5-17)16-14-13(22-25-23-14)11(9-21-16)26-10-3-6-20-15(19)12(10)18;;;;;;;;/h2-4,9,11-12,17H,5-8,10,23H2,1H3;3,6,10,12,15H,4-5,7-9,22H2,1-2H3,(H2,23,24);2,5,8,10-11,15H,3-4,6-7,9,21H2,1H3,(H2,22,23);2,5,8,10,16H,3-4,6-7,9,21H2,1H3,(H2,22,23);4,7,10H,5-6,8-9H2,1-3H3,(H2,20,21);3,6,9H,4-5,7-8H2,1-2H3,(H2,19,20);8*1H2/t12-,17+;12-,15+;11-,15+;10-,16+;;;;;;;;;;/m0000........../s1
InChIKeyGRMSMZZAUMHMOM-YZNGLSHJSA-N
XLogP20.19
TPSA617.79 Ų
H-Bond Donors9
H-Bond Acceptors53
Rotatable Bonds17
Heavy Atoms181
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002872.83
LogP ≤ 520.19
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1053

Analyze (3S,4S)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-chloro-4-[[8-(4,4-dimethylpiperidin-1-yl)-6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]sulfanyl]pyridin-2-amine;3-chloro-4-[[4-(4,4-dimethylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-c]pyridin-7-yl]sulfanyl]pyridin-2-amine;(3S,4S)-8-[5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane with MolForge

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Launch Full Analysis

Related Compounds

(4R)-8-[7-amino-8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;1-[8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine;(3S,4S)-3-methyl-8-[8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-8-[8-[[3-(trifluoromethyl)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
CID 163527306
(4R)-8-[7-amino-8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 163659932
CID 157050117
CID 157050117
CID 157660990
CID 157660990
(3S,4S)-8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-1H-pyrazolo[4,5-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[6-amino-5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-[4-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-methylpyrazolo[1,5-a]pyrazin-7-yl]-2-chlorobenzonitrile;3-chloro-4-[[4-(4,4-dimethylpiperidin-1-yl)-6-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl]sulfanyl]pyridin-2-amine;sulfane
CID 158168901
(4R)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3R,4S)-8-[8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 158466491
(4R)-8-[8-(3-amino-2-chlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-N-methyl-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(2S,4R)-8-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine;(2R,4R)-8-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine;(2R,4R)-8-[8-[(2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine
CID 158593372
3-chloro-4-[[4-(4,4-dimethylpiperidin-1-yl)-2H-triazolo[4,5-c]pyridin-7-yl]sulfanyl]pyridin-2-amine;5-(2,3-dichlorophenyl)-8-(4,4-dimethylpiperidin-1-yl)-6-methylimidazo[1,2-a]pyrazine;7-(2,3-dichlorophenyl)-4-(4,4-dimethylpiperidin-1-yl)-6-methyl-1H-pyrazolo[4,5-c]pyridine;5-(2,3-dichlorophenyl)-8-(4,4-dimethylpiperidin-1-yl)-6-methyl-[1,2,4]triazolo[4,3-a]pyrazine;(3S,4S)-8-[5-(2,3-dichlorophenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-(2,3-dichlorophenyl)-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane
CID 159366968
(4R)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(2R,4R)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 159382423
3-chloro-4-[5-[(3S,4S)-3,4-dimethyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine;3-chloro-4-[7-methyl-5-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine;(2R,4R)-8-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;bis((4R)-8-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-4-methyl-8-azaspiro[4.5]decane);(3S,4S)-8-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 160099058
[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-4-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-methylpyrazolo[1,5-a]pyrazin-2-yl]methanol;(3S,4S)-8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyrazin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;[4-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-7-(2,3-dichlorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-2-yl]methanol;sulfane
CID 160178423
[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-4-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-methylpyrazolo[1,5-a]pyrazin-2-yl]methanol;(3S,4S)-8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyrazin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;[4-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-7-(2,3-dichlorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-2-yl]methanol;[7-(2,3-dichlorophenyl)-4-(4,4-dimethylpiperidin-1-yl)-6-methylpyrazolo[1,5-a]pyrazin-2-yl]methanol;(3S,4S)-8-[7-(2,3-dichlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane
CID 160291009

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-chloro-4-[[8-(4,4-dimethylpiperidin-1-yl)-6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]sulfanyl]pyridin-2-amine;3-chloro-4-[[4-(4,4-dimethylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-c]pyridin-7-yl]sulfanyl]pyridin-2-amine;(3S,4S)-8-[5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane?
The IUPAC name of (3S,4S)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-chloro-4-[[8-(4,4-dimethylpiperidin-1-yl)-6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]sulfanyl]pyridin-2-amine;3-chloro-4-[[4-(4,4-dimethylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-c]pyridin-7-yl]sulfanyl]pyridin-2-amine;(3S,4S)-8-[5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane (CID 158343970) is (3S,4S)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-chloro-4-[[8-(4,4-dimethylpiperidin-1-yl)-6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]sulfanyl]pyridin-2-amine;3-chloro-4-[[4-(4,4-dimethylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-c]pyridin-7-yl]sulfanyl]pyridin-2-amine;(3S,4S)-8-[5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane.
What is the SMILES notation for (3S,4S)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-chloro-4-[[8-(4,4-dimethylpiperidin-1-yl)-6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]sulfanyl]pyridin-2-amine;3-chloro-4-[[4-(4,4-dimethylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-c]pyridin-7-yl]sulfanyl]pyridin-2-amine;(3S,4S)-8-[5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane?
The canonical SMILES for (3S,4S)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-chloro-4-[[8-(4,4-dimethylpiperidin-1-yl)-6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]sulfanyl]pyridin-2-amine;3-chloro-4-[[4-(4,4-dimethylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-c]pyridin-7-yl]sulfanyl]pyridin-2-amine;(3S,4S)-8-[5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane is CC1(C)CCN(c2ncc(Sc3ccnc(N)c3Cl)c3nonc23)CC1.C[C@@H]1OCC2(CCN(c3ncc(-c4cccc(Cl)c4Cl)n4ncnc34)CC2)[C@@H]1N.C[C@@H]1OCC2(CCN(c3ncc(Sc4ccnc(N)c4Cl)c4nsnc34)CC2)[C@@H]1N.C[C@@H]1OCC2(CCN(c3ncc(Sc4ccnc(N)c4Cl)n4ncnc34)CC2)[C@@H]1N.Cc1nc(N2CCC(C)(C)CC2)c2nncn2c1Sc1ccnc(N)c1Cl.Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)c2nncn2c1Sc1ccnc(N)c1Cl.S.S.S.S.S.S.S.S.
What is the InChIKey of (3S,4S)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-chloro-4-[[8-(4,4-dimethylpiperidin-1-yl)-6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]sulfanyl]pyridin-2-amine;3-chloro-4-[[4-(4,4-dimethylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-c]pyridin-7-yl]sulfanyl]pyridin-2-amine;(3S,4S)-8-[5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane?
The InChIKey is GRMSMZZAUMHMOM-YZNGLSHJSA-N. The full InChI is InChI=1S/C20H22Cl2N6O.C20H25ClN8OS.C19H23ClN8OS.C19H22ClN7OS2.C18H22ClN7S.C17H19ClN6OS.8H2S/c1-12-17(23)20(10-29-12)5-7-27(8-6-20)18-19-25-11-26-28(19)15(9-24-18)13-3-2-4-14(21)16(13)22;1-11-19(31-13-3-6-24-16(23)14(13)21)29-10-25-27-18(29)17(26-11)28-7-4-20(5-8-28)9-30-12(2)15(20)22;1-11-15(21)19(9-29-11)3-6-27(7-4-19)17-18-25-10-26-28(18)13(8-24-17)30-12-2-5-23-16(22)14(12)20;1-10-16(21)19(9-28-10)3-6-27(7-4-19)18-15-14(25-30-26-15)12(8-24-18)29-11-2-5-23-17(22)13(11)20;1-11-17(27-12-4-7-21-14(20)13(12)19)26-10-22-24-16(26)15(23-11)25-8-5-18(2,3)6-9-25;1-17(2)4-7-24(8-5-17)16-14-13(22-25-23-14)11(9-21-16)26-10-3-6-20-15(19)12(10)18;;;;;;;;/h2-4,9,11-12,17H,5-8,10,23H2,1H3;3,6,10,12,15H,4-5,7-9,22H2,1-2H3,(H2,23,24);2,5,8,10-11,15H,3-4,6-7,9,21H2,1H3,(H2,22,23);2,5,8,10,16H,3-4,6-7,9,21H2,1H3,(H2,22,23);4,7,10H,5-6,8-9H2,1-3H3,(H2,20,21);3,6,9H,4-5,7-8H2,1-2H3,(H2,19,20);8*1H2/t12-,17+;12-,15+;11-,15+;10-,16+;;;;;;;;;;/m0000........../s1.
What are the key properties of (3S,4S)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-chloro-4-[[8-(4,4-dimethylpiperidin-1-yl)-6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]sulfanyl]pyridin-2-amine;3-chloro-4-[[4-(4,4-dimethylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-c]pyridin-7-yl]sulfanyl]pyridin-2-amine;(3S,4S)-8-[5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane?
(3S,4S)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-chloro-4-[[8-(4,4-dimethylpiperidin-1-yl)-6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]sulfanyl]pyridin-2-amine;3-chloro-4-[[4-(4,4-dimethylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-c]pyridin-7-yl]sulfanyl]pyridin-2-amine;(3S,4S)-8-[5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane has a molecular weight of 2872.83 g/mol, XLogP of 20.19, 17 rotatable bonds, 9 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-chloro-4-[[8-(4,4-dimethylpiperidin-1-yl)-6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]sulfanyl]pyridin-2-amine;3-chloro-4-[[4-(4,4-dimethylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-c]pyridin-7-yl]sulfanyl]pyridin-2-amine;(3S,4S)-8-[5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane is sourced from PubChem (CID 158343970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).