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

C113H143Cl4F9N38O6S6 — CID 163754275

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

(2R,4R)-4-amino-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(2S,4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine;(2S,4R)-4-amino-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(2R,4S)-4-amino-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(2R,4R)-4-amino-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(2S,4R)-8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine (PubChem CID 163754275) has the molecular formula C113H143Cl4F9N38O6S6 and a molecular weight of 2634.84 g/mol. Its IUPAC name is (2R,4R)-4-amino-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(2S,4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine;(2S,4R)-4-amino-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(2R,4S)-4-amino-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(2R,4R)-4-amino-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(2S,4R)-8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

• Compound Name: (2R,4R)-4-amino-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(2S,4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine;(2S,4R)-4-amino-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(2R,4S)-4-amino-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(2R,4R)-4-amino-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(2S,4R)-8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine
• PubChem CID: 163754275
• Molecular Formula: C113H143Cl4F9N38O6S6
• Molecular Weight: 2634.84 g/mol
• Exact Mass: 2630.90
• IUPAC Name: (2R,4R)-4-amino-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(2S,4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine;(2S,4R)-4-amino-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(2R,4S)-4-amino-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(2R,4R)-4-amino-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(2S,4R)-8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine
• SMILES: CO[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(N)c4Cl)c(N)n3)CC2)C1.Nc1nc(N2CCC3(CC2)C[C@@H](O)C[C@@H]3N)cnc1Sc1cccnc1C(F)(F)F.Nc1nc(N2CCC3(CC2)C[C@@H](O)C[C@H]3N)cnc1Sc1cccnc1C(F)(F)F.Nc1nc(N2CCC3(CC2)C[C@@H](O)C[C@H]3N)cnc1Sc1ccnc(N)c1Cl.Nc1nc(N2CCC3(CC2)C[C@H](O)C[C@H]3N)cnc1Sc1cccnc1C(F)(F)F
• InChI: InChI=1S/C19H24Cl2N6OS.C19H26ClN7OS.3C19H23F3N6OS.C18H24ClN7OS/c1-28-11-8-13(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;1-28-11-8-13(21)19(9-11)3-6-27(7-4-19)14-10-25-18(17(23)26-14)29-12-2-5-24-16(22)15(12)20;3*20-19(21,22)15-12(2-1-5-25-15)30-17-16(24)27-14(10-26-17)28-6-3-18(4-7-28)9-11(29)8-13(18)23;19-14-11(1-4-23-15(14)21)28-17-16(22)25-13(9-24-17)26-5-2-18(3-6-26)8-10(27)7-12(18)20/h2,5,10-11,13H,3-4,6-9,22H2,1H3,(H2,23,26);2,5,10-11,13H,3-4,6-9,21H2,1H3,(H2,22,24)(H2,23,26);3*1-2,5,10-11,13,29H,3-4,6-9,23H2,(H2,24,27);1,4,9-10,12,27H,2-3,5-8,20H2,(H2,21,23)(H2,22,25)/t2*11-,13-;11-,13+;2*11-,13-;10-,12+/m110100/s1
• InChIKey: LSRCREDRGPMFEP-NQYYJYBTSA-N
• XLogP: 16.18
• TPSA: 715.12 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 50
• Rotatable Bonds: 20
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2634.84
LogP ≤ 5	16.18
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	50

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (2R,4R)-4-amino-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(2S,4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine;(2S,4R)-4-amino-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(2R,4S)-4-amino-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(2R,4R)-4-amino-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(2S,4R)-8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine (CID 163754275) is (2R,4R)-4-amino-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(2S,4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine;(2S,4R)-4-amino-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(2R,4S)-4-amino-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(2R,4R)-4-amino-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(2S,4R)-8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine.

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

The canonical SMILES for (2R,4R)-4-amino-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(2S,4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine;(2S,4R)-4-amino-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(2R,4S)-4-amino-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(2R,4R)-4-amino-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(2S,4R)-8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine is CO[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(N)c4Cl)c(N)n3)CC2)C1.Nc1nc(N2CCC3(CC2)C[C@@H](O)C[C@@H]3N)cnc1Sc1cccnc1C(F)(F)F.Nc1nc(N2CCC3(CC2)C[C@@H](O)C[C@H]3N)cnc1Sc1cccnc1C(F)(F)F.Nc1nc(N2CCC3(CC2)C[C@@H](O)C[C@H]3N)cnc1Sc1ccnc(N)c1Cl.Nc1nc(N2CCC3(CC2)C[C@H](O)C[C@H]3N)cnc1Sc1cccnc1C(F)(F)F.

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

The InChIKey is LSRCREDRGPMFEP-NQYYJYBTSA-N. The full InChI is InChI=1S/C19H24Cl2N6OS.C19H26ClN7OS.3C19H23F3N6OS.C18H24ClN7OS/c1-28-11-8-13(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;1-28-11-8-13(21)19(9-11)3-6-27(7-4-19)14-10-25-18(17(23)26-14)29-12-2-5-24-16(22)15(12)20;3*20-19(21,22)15-12(2-1-5-25-15)30-17-16(24)27-14(10-26-17)28-6-3-18(4-7-28)9-11(29)8-13(18)23;19-14-11(1-4-23-15(14)21)28-17-16(22)25-13(9-24-17)26-5-2-18(3-6-26)8-10(27)7-12(18)20/h2,5,10-11,13H,3-4,6-9,22H2,1H3,(H2,23,26);2,5,10-11,13H,3-4,6-9,21H2,1H3,(H2,22,24)(H2,23,26);3*1-2,5,10-11,13,29H,3-4,6-9,23H2,(H2,24,27);1,4,9-10,12,27H,2-3,5-8,20H2,(H2,21,23)(H2,22,25)/t2*11-,13-;11-,13+;2*11-,13-;10-,12+/m110100/s1.

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

(2R,4R)-4-amino-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(2S,4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine;(2S,4R)-4-amino-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(2R,4S)-4-amino-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(2R,4R)-4-amino-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(2S,4R)-8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine has a molecular weight of 2634.84 g/mol, XLogP of 16.18, 20 rotatable bonds, 18 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4R)-4-amino-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(2S,4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine;(2S,4R)-4-amino-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(2R,4S)-4-amino-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(2R,4R)-4-amino-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(2S,4R)-8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 163754275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).