3-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylphenol;(3S,4S)-8-[5-[(2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-[(3-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-8-[5-[[2-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine

C74H90F5N19O5S4 — CID 157278981

About 3-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylphenol;(3S,4S)-8-[5-[(2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-[(3-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-8-[5-[[2-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-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]sulfanylphenol;(3S,4S)-8-[5-[(2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-[(3-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-8-[5-[[2-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine (PubChem CID 157278981) has the molecular formula C74H90F5N19O5S4 and a molecular weight of 1548.92 g/mol. Its IUPAC name is 3-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylphenol;(3S,4S)-8-[5-[(2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-[(3-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-8-[5-[[2-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

• Compound Name: 3-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylphenol;(3S,4S)-8-[5-[(2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-[(3-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-8-[5-[[2-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine
• PubChem CID: 157278981
• Molecular Formula: C74H90F5N19O5S4
• Molecular Weight: 1548.92 g/mol
• Exact Mass: 1547.62
• IUPAC Name: 3-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylphenol;(3S,4S)-8-[5-[(2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-[(3-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-8-[5-[[2-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine
• SMILES: C[C@@H]1OCC2(CCN(c3cnc(Sc4cccc(O)c4)cn3)CC2)[C@@H]1N.C[C@@H]1OCC2(CCN(c3cnc(Sc4ccnc(C(F)(F)F)c4)cn3)CC2)[C@@H]1N.C[C@@H]1OCC2(CCN(c3cnc(Sc4ccnc(F)c4)cn3)CC2)[C@@H]1N.C[C@@H]1OCC2(CCN(c3cnc(Sc4ccncc4F)cn3)CC2)[C@@H]1N
• InChI: InChI=1S/C19H22F3N5OS.C19H24N4O2S.2C18H22FN5OS/c1-12-17(23)18(11-28-12)3-6-27(7-4-18)15-9-26-16(10-25-15)29-13-2-5-24-14(8-13)19(20,21)22;1-13-18(20)19(12-25-13)5-7-23(8-6-19)16-10-22-17(11-21-16)26-15-4-2-3-14(24)9-15;1-12-17(20)18(11-25-12)3-6-24(7-4-18)15-9-23-16(10-22-15)26-14-2-5-21-8-13(14)19;1-12-17(20)18(11-25-12)3-6-24(7-4-18)15-9-23-16(10-22-15)26-13-2-5-21-14(19)8-13/h2,5,8-10,12,17H,3-4,6-7,11,23H2,1H3;2-4,9-11,13,18,24H,5-8,12,20H2,1H3;2*2,5,8-10,12,17H,3-4,6-7,11,20H2,1H3/t12-,17+;13-,18+;2*12-,17+/m0000/s1
• InChIKey: AZLANNUPHDLOOU-MIHPZJIXSA-N
• XLogP: 11.03
• TPSA: 315.98 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 12
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1548.92
LogP ≤ 5	11.03
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylphenol;(3S,4S)-8-[5-[(2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-[(3-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-8-[5-[[2-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine?

The IUPAC name of 3-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylphenol;(3S,4S)-8-[5-[(2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-[(3-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-8-[5-[[2-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine (CID 157278981) is 3-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylphenol;(3S,4S)-8-[5-[(2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-[(3-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-8-[5-[[2-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine.

What is the SMILES notation for 3-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylphenol;(3S,4S)-8-[5-[(2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-[(3-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-8-[5-[[2-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine?

The canonical SMILES for 3-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylphenol;(3S,4S)-8-[5-[(2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-[(3-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-8-[5-[[2-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine is C[C@@H]1OCC2(CCN(c3cnc(Sc4cccc(O)c4)cn3)CC2)[C@@H]1N.C[C@@H]1OCC2(CCN(c3cnc(Sc4ccnc(C(F)(F)F)c4)cn3)CC2)[C@@H]1N.C[C@@H]1OCC2(CCN(c3cnc(Sc4ccnc(F)c4)cn3)CC2)[C@@H]1N.C[C@@H]1OCC2(CCN(c3cnc(Sc4ccncc4F)cn3)CC2)[C@@H]1N.

What is the InChIKey of 3-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylphenol;(3S,4S)-8-[5-[(2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-[(3-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-8-[5-[[2-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine?

The InChIKey is AZLANNUPHDLOOU-MIHPZJIXSA-N. The full InChI is InChI=1S/C19H22F3N5OS.C19H24N4O2S.2C18H22FN5OS/c1-12-17(23)18(11-28-12)3-6-27(7-4-18)15-9-26-16(10-25-15)29-13-2-5-24-14(8-13)19(20,21)22;1-13-18(20)19(12-25-13)5-7-23(8-6-19)16-10-22-17(11-21-16)26-15-4-2-3-14(24)9-15;1-12-17(20)18(11-25-12)3-6-24(7-4-18)15-9-23-16(10-22-15)26-14-2-5-21-8-13(14)19;1-12-17(20)18(11-25-12)3-6-24(7-4-18)15-9-23-16(10-22-15)26-13-2-5-21-14(19)8-13/h2,5,8-10,12,17H,3-4,6-7,11,23H2,1H3;2-4,9-11,13,18,24H,5-8,12,20H2,1H3;2*2,5,8-10,12,17H,3-4,6-7,11,20H2,1H3/t12-,17+;13-,18+;2*12-,17+/m0000/s1.

What are the key properties of 3-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylphenol;(3S,4S)-8-[5-[(2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-[(3-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-8-[5-[[2-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-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]sulfanylphenol;(3S,4S)-8-[5-[(2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-[(3-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-8-[5-[[2-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine has a molecular weight of 1548.92 g/mol, XLogP of 11.03, 12 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylphenol;(3S,4S)-8-[5-[(2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[5-[(3-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-8-[5-[[2-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 157278981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).