(4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2,2-difluoro-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;(4R)-8-[6-amino-5-[(5-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(4S)-8-[6-amino-5-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;(2R,4R)-8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine;(4S)-8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine

C111H136Cl9F4N37O5S6 — CID 159093037

About (4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2,2-difluoro-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;(4R)-8-[6-amino-5-[(5-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(4S)-8-[6-amino-5-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;(2R,4R)-8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine;(4S)-8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine

(4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2,2-difluoro-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;(4R)-8-[6-amino-5-[(5-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(4S)-8-[6-amino-5-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;(2R,4R)-8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine;(4S)-8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine (PubChem CID 159093037) has the molecular formula C111H136Cl9F4N37O5S6 and a molecular weight of 2656.03 g/mol. Its IUPAC name is (4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2,2-difluoro-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;(4R)-8-[6-amino-5-[(5-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(4S)-8-[6-amino-5-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;(2R,4R)-8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine;(4S)-8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

• Compound Name: (4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2,2-difluoro-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;(4R)-8-[6-amino-5-[(5-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(4S)-8-[6-amino-5-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;(2R,4R)-8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine;(4S)-8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine
• PubChem CID: 159093037
• Molecular Formula: C111H136Cl9F4N37O5S6
• Molecular Weight: 2656.03 g/mol
• Exact Mass: 2649.70
• IUPAC Name: (4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2,2-difluoro-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;(4R)-8-[6-amino-5-[(5-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(4S)-8-[6-amino-5-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;(2R,4R)-8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine;(4S)-8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine
• SMILES: CC(C)C(=O)O[C@@H]1C[C@@H](N)C2(CCN(c3cnc(Sc4ccnc(Cl)c4Cl)c(N)n3)CC2)C1.CO[C@H]1C[C@@H](N)C2(CCN(c3cnc(Sc4ccnc(Cl)c4Cl)c(N)n3)CC2)C1.Nc1nc(N2CCC3(CC2)CC(F)(F)C[C@H]3N)cnc1Sc1ccnc(N)c1Cl.Nc1nc(N2CCC3(CC2)COC[C@H]3N)cnc1Sc1ccnc(Cl)c1Cl.Nc1nc(N2CCC3(CC2)COC[C@H]3N)cnc1Sc1ccnc(F)c1Cl.Nc1nc(N2CCC3(CCC[C@H]3N)CC2)cnc1Sc1cc(F)ncc1Cl
• InChI: InChI=1S/C22H28Cl2N6O2S.C19H24Cl2N6OS.C18H22ClF2N7S.C18H22ClFN6S.C17H20Cl2N6OS.C17H20ClFN6OS/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;1-28-11-8-13(22)19(9-11)3-6-27(7-4-19)14-10-25-18(17(23)26-14)29-12-2-5-24-16(21)15(12)20;19-13-10(1-4-25-14(13)23)29-16-15(24)27-12(8-26-16)28-5-2-17(3-6-28)9-18(20,21)7-11(17)22;19-11-9-23-14(20)8-12(11)27-17-16(22)25-15(10-24-17)26-6-4-18(5-7-26)3-1-2-13(18)21;2*18-13-10(1-4-22-14(13)19)27-16-15(21)24-12(7-23-16)25-5-2-17(3-6-25)9-26-8-11(17)20/h3,6,11-13,15H,4-5,7-10,25H2,1-2H3,(H2,26,29);2,5,10-11,13H,3-4,6-9,22H2,1H3,(H2,23,26);1,4,8,11H,2-3,5-7,9,22H2,(H2,23,25)(H2,24,27);8-10,13H,1-7,21H2,(H2,22,25);2*1,4,7,11H,2-3,5-6,8-9,20H2,(H2,21,24)/t13-,15-;11-,13+;11-;13-;2*11-/m101111/s1
• InChIKey: KCHUPBRGCKBKRY-MACGUGNUSA-N
• XLogP: 19.70
• TPSA: 643.71 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 48
• Rotatable Bonds: 21
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2656.03
LogP ≤ 5	19.70
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2,2-difluoro-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;(4R)-8-[6-amino-5-[(5-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(4S)-8-[6-amino-5-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;(2R,4R)-8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine;(4S)-8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine?

The IUPAC name of (4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2,2-difluoro-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;(4R)-8-[6-amino-5-[(5-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(4S)-8-[6-amino-5-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;(2R,4R)-8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine;(4S)-8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine (CID 159093037) is (4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2,2-difluoro-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;(4R)-8-[6-amino-5-[(5-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(4S)-8-[6-amino-5-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;(2R,4R)-8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine;(4S)-8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine.

What is the SMILES notation for (4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2,2-difluoro-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;(4R)-8-[6-amino-5-[(5-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(4S)-8-[6-amino-5-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;(2R,4R)-8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine;(4S)-8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine?

The canonical SMILES for (4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2,2-difluoro-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;(4R)-8-[6-amino-5-[(5-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(4S)-8-[6-amino-5-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;(2R,4R)-8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine;(4S)-8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine is CC(C)C(=O)O[C@@H]1C[C@@H](N)C2(CCN(c3cnc(Sc4ccnc(Cl)c4Cl)c(N)n3)CC2)C1.CO[C@H]1C[C@@H](N)C2(CCN(c3cnc(Sc4ccnc(Cl)c4Cl)c(N)n3)CC2)C1.Nc1nc(N2CCC3(CC2)CC(F)(F)C[C@H]3N)cnc1Sc1ccnc(N)c1Cl.Nc1nc(N2CCC3(CC2)COC[C@H]3N)cnc1Sc1ccnc(Cl)c1Cl.Nc1nc(N2CCC3(CC2)COC[C@H]3N)cnc1Sc1ccnc(F)c1Cl.Nc1nc(N2CCC3(CCC[C@H]3N)CC2)cnc1Sc1cc(F)ncc1Cl.

What is the InChIKey of (4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2,2-difluoro-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;(4R)-8-[6-amino-5-[(5-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(4S)-8-[6-amino-5-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;(2R,4R)-8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine;(4S)-8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine?

The InChIKey is KCHUPBRGCKBKRY-MACGUGNUSA-N. The full InChI is InChI=1S/C22H28Cl2N6O2S.C19H24Cl2N6OS.C18H22ClF2N7S.C18H22ClFN6S.C17H20Cl2N6OS.C17H20ClFN6OS/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;1-28-11-8-13(22)19(9-11)3-6-27(7-4-19)14-10-25-18(17(23)26-14)29-12-2-5-24-16(21)15(12)20;19-13-10(1-4-25-14(13)23)29-16-15(24)27-12(8-26-16)28-5-2-17(3-6-28)9-18(20,21)7-11(17)22;19-11-9-23-14(20)8-12(11)27-17-16(22)25-15(10-24-17)26-6-4-18(5-7-26)3-1-2-13(18)21;2*18-13-10(1-4-22-14(13)19)27-16-15(21)24-12(7-23-16)25-5-2-17(3-6-25)9-26-8-11(17)20/h3,6,11-13,15H,4-5,7-10,25H2,1-2H3,(H2,26,29);2,5,10-11,13H,3-4,6-9,22H2,1H3,(H2,23,26);1,4,8,11H,2-3,5-7,9,22H2,(H2,23,25)(H2,24,27);8-10,13H,1-7,21H2,(H2,22,25);2*1,4,7,11H,2-3,5-6,8-9,20H2,(H2,21,24)/t13-,15-;11-,13+;11-;13-;2*11-/m101111/s1.

What are the key properties of (4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2,2-difluoro-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;(4R)-8-[6-amino-5-[(5-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(4S)-8-[6-amino-5-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;(2R,4R)-8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine;(4S)-8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine?

(4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2,2-difluoro-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;(4R)-8-[6-amino-5-[(5-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(4S)-8-[6-amino-5-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;(2R,4R)-8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine;(4S)-8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine has a molecular weight of 2656.03 g/mol, XLogP of 19.70, 21 rotatable bonds, 13 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2,2-difluoro-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;(4R)-8-[6-amino-5-[(5-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(4S)-8-[6-amino-5-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;(2R,4R)-8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine;(4S)-8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 159093037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).