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

C101H126Cl4F9N27S5 — CID 163976001

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

(2S,4R)-8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;(2R,4R)-8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;6-[(2R,4R)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(2S,4R)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(4R)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine (PubChem CID 163976001) has the molecular formula C101H126Cl4F9N27S5 and a molecular weight of 2191.44 g/mol. Its IUPAC name is (2S,4R)-8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;(2R,4R)-8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;6-[(2R,4R)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(2S,4R)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(4R)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine.

Molecular Properties

• Compound Name: (2S,4R)-8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;(2R,4R)-8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;6-[(2R,4R)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(2S,4R)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(4R)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine
• PubChem CID: 163976001
• Molecular Formula: C101H126Cl4F9N27S5
• Molecular Weight: 2191.44 g/mol
• Exact Mass: 2187.79
• IUPAC Name: (2S,4R)-8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;(2R,4R)-8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;6-[(2R,4R)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(2S,4R)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(4R)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine
• SMILES: CC1C[C@@H](C)C2(CCN(c3cnc(Sc4cccnc4C(F)(F)F)c(N)n3)CC2)C1.C[C@@H]1C[C@@H](C)C2(CCN(c3cnc(Sc4cccnc4C(F)(F)F)c(N)n3)CC2)C1.C[C@@H]1C[C@@H](N)C2(CCN(c3cnc(Sc4ccnc(Cl)c4Cl)c(N)n3)CC2)C1.C[C@H]1C[C@@H](C)C2(CCN(c3cnc(Sc4cccnc4C(F)(F)F)c(N)n3)CC2)C1.C[C@H]1C[C@@H](N)C2(CCN(c3cnc(Sc4ccnc(Cl)c4Cl)c(N)n3)CC2)C1
• InChI: InChI=1S/3C21H26F3N5S.2C19H24Cl2N6S/c3*1-13-10-14(2)20(11-13)5-8-29(9-6-20)16-12-27-19(18(25)28-16)30-15-4-3-7-26-17(15)21(22,23)24;2*1-11-8-13(22)19(9-11)3-6-27(7-4-19)14-10-25-18(17(23)26-14)28-12-2-5-24-16(21)15(12)20/h3*3-4,7,12-14H,5-6,8-11H2,1-2H3,(H2,25,28);2*2,5,10-11,13H,3-4,6-9,22H2,1H3,(H2,23,26)/t13?,14-;13-,14+;13-,14-;11-,13+;11-,13-/m10101/s1
• InChIKey: SUEJYOVCOOZBQH-LYADGRKLSA-N
• XLogP: 24.34
• TPSA: 391.69 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 32
• Rotatable Bonds: 15
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2191.44
LogP ≤ 5	24.34
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (2S,4R)-8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;(2R,4R)-8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;6-[(2R,4R)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(2S,4R)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(4R)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine (CID 163976001) is (2S,4R)-8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;(2R,4R)-8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;6-[(2R,4R)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(2S,4R)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(4R)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine.

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

The canonical SMILES for (2S,4R)-8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;(2R,4R)-8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;6-[(2R,4R)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(2S,4R)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(4R)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine is CC1C[C@@H](C)C2(CCN(c3cnc(Sc4cccnc4C(F)(F)F)c(N)n3)CC2)C1.C[C@@H]1C[C@@H](C)C2(CCN(c3cnc(Sc4cccnc4C(F)(F)F)c(N)n3)CC2)C1.C[C@@H]1C[C@@H](N)C2(CCN(c3cnc(Sc4ccnc(Cl)c4Cl)c(N)n3)CC2)C1.C[C@H]1C[C@@H](C)C2(CCN(c3cnc(Sc4cccnc4C(F)(F)F)c(N)n3)CC2)C1.C[C@H]1C[C@@H](N)C2(CCN(c3cnc(Sc4ccnc(Cl)c4Cl)c(N)n3)CC2)C1.

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

The InChIKey is SUEJYOVCOOZBQH-LYADGRKLSA-N. The full InChI is InChI=1S/3C21H26F3N5S.2C19H24Cl2N6S/c3*1-13-10-14(2)20(11-13)5-8-29(9-6-20)16-12-27-19(18(25)28-16)30-15-4-3-7-26-17(15)21(22,23)24;2*1-11-8-13(22)19(9-11)3-6-27(7-4-19)14-10-25-18(17(23)26-14)28-12-2-5-24-16(21)15(12)20/h3*3-4,7,12-14H,5-6,8-11H2,1-2H3,(H2,25,28);2*2,5,10-11,13H,3-4,6-9,22H2,1H3,(H2,23,26)/t13?,14-;13-,14+;13-,14-;11-,13+;11-,13-/m10101/s1.

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

(2S,4R)-8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;(2R,4R)-8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;6-[(2R,4R)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(2S,4R)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(4R)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine has a molecular weight of 2191.44 g/mol, XLogP of 24.34, 15 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,4R)-8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;(2R,4R)-8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;6-[(2R,4R)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(2S,4R)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(4R)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine is sourced from PubChem (CID 163976001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).