(3S,4S)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;[3-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylphenyl]methanol;3-chloro-4-[5-[(3R,4R)-3,4-dimethyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylpyridin-2-amine;(3S,4S)-8-[5-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4S)-8-[5-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-methyl-2-oxa-8-azaspiro[4.5]decane;(3S,4S)-3-methyl-8-(5-phenylsulfanylpyrazin-2-yl)-2-oxa-8-azaspiro[4.5]decan-4-amine;(4S)-4-methyl-8-[5-[[3-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decane

C131H159Cl4F5N32O8S7 — CID 159796375

IUPAC(3S,4S)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;[3-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylphenyl]methanol;3-chloro-4-[5-[(3R,4R)-3,4-dimethyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylpyridin-2-amine;(3S,4S)-8-[5-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4S)-8-[5-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-methyl-2-oxa-8-azaspiro[4.5]decane;(3S,4S)-3-methyl-8-(5-phenylsulfanylpyrazin-2-yl)-2-oxa-8-azaspiro[4.5]decan-4-amine;(4S)-4-methyl-8-[5-[[3-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decane
SMILESC[C@@H]1COCC12CCN(c1cnc(Sc3ccnc(F)c3Cl)cn1)CC2.C[C@@H]1COCC12CCN(c1cnc(Sc3ccncc3C(F)(F)F)cn1)CC2.C[C@@H]1OCC2(CCN(c3cnc(Sc4cccc(CO)c4)cn3)CC2)[C@@H]1N.C[C@@H]1OCC2(CCN(c3cnc(Sc4ccccc4)cn3)CC2)[C@@H]1N.C[C@@H]1OCC2(CCN(c3cnc(Sc4ccnc(F)c4Cl)cn3)CC2)[C@@H]1N.C[C@@H]1OCC2(CCN(c3cnc(Sc4ccnc(N)c4Cl)cn3)CC2)[C@@H]1N.C[C@H]1OCC2(CCN(c3cnc(Sc4ccnc(N)c4Cl)cn3)CC2)[C@H]1C
InChIInChI=1S/C20H26N4O2S.C19H24ClN5OS.C19H21F3N4OS.C19H24N4OS.C18H21ClFN5OS.C18H20ClFN4OS.C18H23ClN6OS/c1-14-19(21)20(13-26-14)5-7-24(8-6-20)17-10-23-18(11-22-17)27-16-4-2-3-15(9-16)12-25;1-12-13(2)26-11-19(12)4-7-25(8-5-19)15-9-24-16(10-23-15)27-14-3-6-22-18(21)17(14)20;1-13-11-27-12-18(13)3-6-26(7-4-18)16-9-25-17(10-24-16)28-15-2-5-23-8-14(15)19(20,21)22;1-14-18(20)19(13-24-14)7-9-23(10-8-19)16-11-22-17(12-21-16)25-15-5-3-2-4-6-15;1-11-16(21)18(10-26-11)3-6-25(7-4-18)13-8-24-14(9-23-13)27-12-2-5-22-17(20)15(12)19;1-12-10-25-11-18(12)3-6-24(7-4-18)14-8-23-15(9-22-14)26-13-2-5-21-17(20)16(13)19;1-11-16(20)18(10-26-11)3-6-25(7-4-18)13-8-24-14(9-23-13)27-12-2-5-22-17(21)15(12)19/h2-4,9-11,14,19,25H,5-8,12-13,21H2,1H3;3,6,9-10,12-13H,4-5,7-8,11H2,1-2H3,(H2,21,22);2,5,8-10,13H,3-4,6-7,11-12H2,1H3;2-6,11-12,14,18H,7-10,13,20H2,1H3;2,5,8-9,11,16H,3-4,6-7,10,21H2,1H3;2,5,8-9,12H,3-4,6-7,10-11H2,1H3;2,5,8-9,11,16H,3-4,6-7,10,20H2,1H3,(H2,21,22)/t14-,19+;12-,13+;13-;14-,18+;11-,16+;12-;11-,16+/m0010010/s1
InChIKeyNJFMFAIODPMGDR-BWCATHFDSA-N
MW2771.20 g/mol
LogP23.41
Rot. Bonds22

About (3S,4S)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;[3-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylphenyl]methanol;3-chloro-4-[5-[(3R,4R)-3,4-dimethyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylpyridin-2-amine;(3S,4S)-8-[5-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4S)-8-[5-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-methyl-2-oxa-8-azaspiro[4.5]decane;(3S,4S)-3-methyl-8-(5-phenylsulfanylpyrazin-2-yl)-2-oxa-8-azaspiro[4.5]decan-4-amine;(4S)-4-methyl-8-[5-[[3-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decane

(3S,4S)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;[3-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylphenyl]methanol;3-chloro-4-[5-[(3R,4R)-3,4-dimethyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylpyridin-2-amine;(3S,4S)-8-[5-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4S)-8-[5-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-methyl-2-oxa-8-azaspiro[4.5]decane;(3S,4S)-3-methyl-8-(5-phenylsulfanylpyrazin-2-yl)-2-oxa-8-azaspiro[4.5]decan-4-amine;(4S)-4-methyl-8-[5-[[3-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decane (PubChem CID 159796375) has the molecular formula C131H159Cl4F5N32O8S7 and a molecular weight of 2771.20 g/mol. Its IUPAC name is (3S,4S)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;[3-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylphenyl]methanol;3-chloro-4-[5-[(3R,4R)-3,4-dimethyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylpyridin-2-amine;(3S,4S)-8-[5-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4S)-8-[5-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-methyl-2-oxa-8-azaspiro[4.5]decane;(3S,4S)-3-methyl-8-(5-phenylsulfanylpyrazin-2-yl)-2-oxa-8-azaspiro[4.5]decan-4-amine;(4S)-4-methyl-8-[5-[[3-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3S,4S)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;[3-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylphenyl]methanol;3-chloro-4-[5-[(3R,4R)-3,4-dimethyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylpyridin-2-amine;(3S,4S)-8-[5-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4S)-8-[5-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-methyl-2-oxa-8-azaspiro[4.5]decane;(3S,4S)-3-methyl-8-(5-phenylsulfanylpyrazin-2-yl)-2-oxa-8-azaspiro[4.5]decan-4-amine;(4S)-4-methyl-8-[5-[[3-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decane
PubChem CID159796375
Molecular FormulaC131H159Cl4F5N32O8S7
Molecular Weight2771.20 g/mol
Exact Mass2766.97
IUPAC Name(3S,4S)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;[3-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylphenyl]methanol;3-chloro-4-[5-[(3R,4R)-3,4-dimethyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylpyridin-2-amine;(3S,4S)-8-[5-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4S)-8-[5-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-methyl-2-oxa-8-azaspiro[4.5]decane;(3S,4S)-3-methyl-8-(5-phenylsulfanylpyrazin-2-yl)-2-oxa-8-azaspiro[4.5]decan-4-amine;(4S)-4-methyl-8-[5-[[3-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decane
SMILESC[C@@H]1COCC12CCN(c1cnc(Sc3ccnc(F)c3Cl)cn1)CC2.C[C@@H]1COCC12CCN(c1cnc(Sc3ccncc3C(F)(F)F)cn1)CC2.C[C@@H]1OCC2(CCN(c3cnc(Sc4cccc(CO)c4)cn3)CC2)[C@@H]1N.C[C@@H]1OCC2(CCN(c3cnc(Sc4ccccc4)cn3)CC2)[C@@H]1N.C[C@@H]1OCC2(CCN(c3cnc(Sc4ccnc(F)c4Cl)cn3)CC2)[C@@H]1N.C[C@@H]1OCC2(CCN(c3cnc(Sc4ccnc(N)c4Cl)cn3)CC2)[C@@H]1N.C[C@H]1OCC2(CCN(c3cnc(Sc4ccnc(N)c4Cl)cn3)CC2)[C@H]1C
InChIInChI=1S/C20H26N4O2S.C19H24ClN5OS.C19H21F3N4OS.C19H24N4OS.C18H21ClFN5OS.C18H20ClFN4OS.C18H23ClN6OS/c1-14-19(21)20(13-26-14)5-7-24(8-6-20)17-10-23-18(11-22-17)27-16-4-2-3-15(9-16)12-25;1-12-13(2)26-11-19(12)4-7-25(8-5-19)15-9-24-16(10-23-15)27-14-3-6-22-18(21)17(14)20;1-13-11-27-12-18(13)3-6-26(7-4-18)16-9-25-17(10-24-16)28-15-2-5-23-8-14(15)19(20,21)22;1-14-18(20)19(13-24-14)7-9-23(10-8-19)16-11-22-17(12-21-16)25-15-5-3-2-4-6-15;1-11-16(21)18(10-26-11)3-6-25(7-4-18)13-8-24-14(9-23-13)27-12-2-5-22-17(20)15(12)19;1-12-10-25-11-18(12)3-6-24(7-4-18)14-8-23-15(9-22-14)26-13-2-5-21-17(20)16(13)19;1-11-16(20)18(10-26-11)3-6-25(7-4-18)13-8-24-14(9-23-13)27-12-2-5-22-17(21)15(12)19/h2-4,9-11,14,19,25H,5-8,12-13,21H2,1H3;3,6,9-10,12-13H,4-5,7-8,11H2,1-2H3,(H2,21,22);2,5,8-10,13H,3-4,6-7,11-12H2,1H3;2-6,11-12,14,18H,7-10,13,20H2,1H3;2,5,8-9,11,16H,3-4,6-7,10,21H2,1H3;2,5,8-9,12H,3-4,6-7,10-11H2,1H3;2,5,8-9,11,16H,3-4,6-7,10,20H2,1H3,(H2,21,22)/t14-,19+;12-,13+;13-;14-,18+;11-,16+;12-;11-,16+/m0010010/s1
InChIKeyNJFMFAIODPMGDR-BWCATHFDSA-N
XLogP23.41
TPSA508.55 Ų
H-Bond Donors7
H-Bond Acceptors47
Rotatable Bonds22
Heavy Atoms187
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002771.20
LogP ≤ 523.41
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1047

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (3S,4S)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;[3-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylphenyl]methanol;3-chloro-4-[5-[(3R,4R)-3,4-dimethyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylpyridin-2-amine;(3S,4S)-8-[5-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4S)-8-[5-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-methyl-2-oxa-8-azaspiro[4.5]decane;(3S,4S)-3-methyl-8-(5-phenylsulfanylpyrazin-2-yl)-2-oxa-8-azaspiro[4.5]decan-4-amine;(4S)-4-methyl-8-[5-[[3-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decane with MolForge

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Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;[3-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylphenyl]methanol;3-chloro-4-[5-[(3R,4R)-3,4-dimethyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylpyridin-2-amine;(3S,4S)-8-[5-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4S)-8-[5-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-methyl-2-oxa-8-azaspiro[4.5]decane;(3S,4S)-3-methyl-8-(5-phenylsulfanylpyrazin-2-yl)-2-oxa-8-azaspiro[4.5]decan-4-amine;(4S)-4-methyl-8-[5-[[3-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decane?
The IUPAC name of (3S,4S)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;[3-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylphenyl]methanol;3-chloro-4-[5-[(3R,4R)-3,4-dimethyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylpyridin-2-amine;(3S,4S)-8-[5-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4S)-8-[5-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-methyl-2-oxa-8-azaspiro[4.5]decane;(3S,4S)-3-methyl-8-(5-phenylsulfanylpyrazin-2-yl)-2-oxa-8-azaspiro[4.5]decan-4-amine;(4S)-4-methyl-8-[5-[[3-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decane (CID 159796375) is (3S,4S)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;[3-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylphenyl]methanol;3-chloro-4-[5-[(3R,4R)-3,4-dimethyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylpyridin-2-amine;(3S,4S)-8-[5-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4S)-8-[5-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-methyl-2-oxa-8-azaspiro[4.5]decane;(3S,4S)-3-methyl-8-(5-phenylsulfanylpyrazin-2-yl)-2-oxa-8-azaspiro[4.5]decan-4-amine;(4S)-4-methyl-8-[5-[[3-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (3S,4S)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;[3-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylphenyl]methanol;3-chloro-4-[5-[(3R,4R)-3,4-dimethyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylpyridin-2-amine;(3S,4S)-8-[5-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4S)-8-[5-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-methyl-2-oxa-8-azaspiro[4.5]decane;(3S,4S)-3-methyl-8-(5-phenylsulfanylpyrazin-2-yl)-2-oxa-8-azaspiro[4.5]decan-4-amine;(4S)-4-methyl-8-[5-[[3-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for (3S,4S)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;[3-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylphenyl]methanol;3-chloro-4-[5-[(3R,4R)-3,4-dimethyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylpyridin-2-amine;(3S,4S)-8-[5-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4S)-8-[5-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-methyl-2-oxa-8-azaspiro[4.5]decane;(3S,4S)-3-methyl-8-(5-phenylsulfanylpyrazin-2-yl)-2-oxa-8-azaspiro[4.5]decan-4-amine;(4S)-4-methyl-8-[5-[[3-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decane is C[C@@H]1COCC12CCN(c1cnc(Sc3ccnc(F)c3Cl)cn1)CC2.C[C@@H]1COCC12CCN(c1cnc(Sc3ccncc3C(F)(F)F)cn1)CC2.C[C@@H]1OCC2(CCN(c3cnc(Sc4cccc(CO)c4)cn3)CC2)[C@@H]1N.C[C@@H]1OCC2(CCN(c3cnc(Sc4ccccc4)cn3)CC2)[C@@H]1N.C[C@@H]1OCC2(CCN(c3cnc(Sc4ccnc(F)c4Cl)cn3)CC2)[C@@H]1N.C[C@@H]1OCC2(CCN(c3cnc(Sc4ccnc(N)c4Cl)cn3)CC2)[C@@H]1N.C[C@H]1OCC2(CCN(c3cnc(Sc4ccnc(N)c4Cl)cn3)CC2)[C@H]1C.
What is the InChIKey of (3S,4S)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;[3-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylphenyl]methanol;3-chloro-4-[5-[(3R,4R)-3,4-dimethyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylpyridin-2-amine;(3S,4S)-8-[5-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4S)-8-[5-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-methyl-2-oxa-8-azaspiro[4.5]decane;(3S,4S)-3-methyl-8-(5-phenylsulfanylpyrazin-2-yl)-2-oxa-8-azaspiro[4.5]decan-4-amine;(4S)-4-methyl-8-[5-[[3-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decane?
The InChIKey is NJFMFAIODPMGDR-BWCATHFDSA-N. The full InChI is InChI=1S/C20H26N4O2S.C19H24ClN5OS.C19H21F3N4OS.C19H24N4OS.C18H21ClFN5OS.C18H20ClFN4OS.C18H23ClN6OS/c1-14-19(21)20(13-26-14)5-7-24(8-6-20)17-10-23-18(11-22-17)27-16-4-2-3-15(9-16)12-25;1-12-13(2)26-11-19(12)4-7-25(8-5-19)15-9-24-16(10-23-15)27-14-3-6-22-18(21)17(14)20;1-13-11-27-12-18(13)3-6-26(7-4-18)16-9-25-17(10-24-16)28-15-2-5-23-8-14(15)19(20,21)22;1-14-18(20)19(13-24-14)7-9-23(10-8-19)16-11-22-17(12-21-16)25-15-5-3-2-4-6-15;1-11-16(21)18(10-26-11)3-6-25(7-4-18)13-8-24-14(9-23-13)27-12-2-5-22-17(20)15(12)19;1-12-10-25-11-18(12)3-6-24(7-4-18)14-8-23-15(9-22-14)26-13-2-5-21-17(20)16(13)19;1-11-16(20)18(10-26-11)3-6-25(7-4-18)13-8-24-14(9-23-13)27-12-2-5-22-17(21)15(12)19/h2-4,9-11,14,19,25H,5-8,12-13,21H2,1H3;3,6,9-10,12-13H,4-5,7-8,11H2,1-2H3,(H2,21,22);2,5,8-10,13H,3-4,6-7,11-12H2,1H3;2-6,11-12,14,18H,7-10,13,20H2,1H3;2,5,8-9,11,16H,3-4,6-7,10,21H2,1H3;2,5,8-9,12H,3-4,6-7,10-11H2,1H3;2,5,8-9,11,16H,3-4,6-7,10,20H2,1H3,(H2,21,22)/t14-,19+;12-,13+;13-;14-,18+;11-,16+;12-;11-,16+/m0010010/s1.
What are the key properties of (3S,4S)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;[3-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylphenyl]methanol;3-chloro-4-[5-[(3R,4R)-3,4-dimethyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylpyridin-2-amine;(3S,4S)-8-[5-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4S)-8-[5-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-methyl-2-oxa-8-azaspiro[4.5]decane;(3S,4S)-3-methyl-8-(5-phenylsulfanylpyrazin-2-yl)-2-oxa-8-azaspiro[4.5]decan-4-amine;(4S)-4-methyl-8-[5-[[3-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decane?
(3S,4S)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;[3-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylphenyl]methanol;3-chloro-4-[5-[(3R,4R)-3,4-dimethyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylpyridin-2-amine;(3S,4S)-8-[5-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4S)-8-[5-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-methyl-2-oxa-8-azaspiro[4.5]decane;(3S,4S)-3-methyl-8-(5-phenylsulfanylpyrazin-2-yl)-2-oxa-8-azaspiro[4.5]decan-4-amine;(4S)-4-methyl-8-[5-[[3-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decane has a molecular weight of 2771.20 g/mol, XLogP of 23.41, 22 rotatable bonds, 7 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;[3-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylphenyl]methanol;3-chloro-4-[5-[(3R,4R)-3,4-dimethyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylpyridin-2-amine;(3S,4S)-8-[5-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4S)-8-[5-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-methyl-2-oxa-8-azaspiro[4.5]decane;(3S,4S)-3-methyl-8-(5-phenylsulfanylpyrazin-2-yl)-2-oxa-8-azaspiro[4.5]decan-4-amine;(4S)-4-methyl-8-[5-[[3-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 159796375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).