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

C123H152ClF15N30OS6 — CID 158923581

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

3-[(2-chloro-3-pyridinyl)sulfanyl]-6-[(4S)-4-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;6-[(2R,4S)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(2S,4S)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-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-(2,4-dimethyl-8-azaspiro[4.5]decan-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine (PubChem CID 158923581) has the molecular formula C123H152ClF15N30OS6 and a molecular weight of 2579.60 g/mol. Its IUPAC name is 3-[(2-chloro-3-pyridinyl)sulfanyl]-6-[(4S)-4-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;6-[(2R,4S)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(2S,4S)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-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-(2,4-dimethyl-8-azaspiro[4.5]decan-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine.

Molecular Properties

• Compound Name: 3-[(2-chloro-3-pyridinyl)sulfanyl]-6-[(4S)-4-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;6-[(2R,4S)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(2S,4S)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-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-(2,4-dimethyl-8-azaspiro[4.5]decan-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine
• PubChem CID: 158923581
• Molecular Formula: C123H152ClF15N30OS6
• Molecular Weight: 2579.60 g/mol
• Exact Mass: 2577.05
• IUPAC Name: 3-[(2-chloro-3-pyridinyl)sulfanyl]-6-[(4S)-4-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;6-[(2R,4S)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(2S,4S)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-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-(2,4-dimethyl-8-azaspiro[4.5]decan-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine
• SMILES: CC1CC(C)C2(CCN(c3cnc(Sc4cccnc4C(F)(F)F)c(N)n3)CC2)C1.C[C@@H]1COCC12CCN(c1cnc(Sc3cccnc3Cl)c(N)n1)CC2.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](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](C)C2(CCN(c3cnc(Sc4cccnc4C(F)(F)F)c(N)n3)CC2)C1
• InChI: InChI=1S/5C21H26F3N5S.C18H22ClN5OS/c5*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;1-12-10-25-11-18(12)4-7-24(8-5-18)14-9-22-17(16(20)23-14)26-13-3-2-6-21-15(13)19/h5*3-4,7,12-14H,5-6,8-11H2,1-2H3,(H2,25,28);2-3,6,9,12H,4-5,7-8,10-11H2,1H3,(H2,20,23)/t2*13-,14+;2*13-,14-;;12-/m1010.1/s1
• InChIKey: JIDMOQYDMNDYNA-BEGCULRCSA-N
• XLogP: 29.89
• TPSA: 416.81 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 37
• Rotatable Bonds: 18
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2579.60
LogP ≤ 5	29.89
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 3-[(2-chloro-3-pyridinyl)sulfanyl]-6-[(4S)-4-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;6-[(2R,4S)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(2S,4S)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-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-(2,4-dimethyl-8-azaspiro[4.5]decan-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine (CID 158923581) is 3-[(2-chloro-3-pyridinyl)sulfanyl]-6-[(4S)-4-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;6-[(2R,4S)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(2S,4S)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-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-(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 3-[(2-chloro-3-pyridinyl)sulfanyl]-6-[(4S)-4-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;6-[(2R,4S)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(2S,4S)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-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-(2,4-dimethyl-8-azaspiro[4.5]decan-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine?

The canonical SMILES for 3-[(2-chloro-3-pyridinyl)sulfanyl]-6-[(4S)-4-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;6-[(2R,4S)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(2S,4S)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-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-(2,4-dimethyl-8-azaspiro[4.5]decan-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine is CC1CC(C)C2(CCN(c3cnc(Sc4cccnc4C(F)(F)F)c(N)n3)CC2)C1.C[C@@H]1COCC12CCN(c1cnc(Sc3cccnc3Cl)c(N)n1)CC2.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](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](C)C2(CCN(c3cnc(Sc4cccnc4C(F)(F)F)c(N)n3)CC2)C1.

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

The InChIKey is JIDMOQYDMNDYNA-BEGCULRCSA-N. The full InChI is InChI=1S/5C21H26F3N5S.C18H22ClN5OS/c5*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;1-12-10-25-11-18(12)4-7-24(8-5-18)14-9-22-17(16(20)23-14)26-13-3-2-6-21-15(13)19/h5*3-4,7,12-14H,5-6,8-11H2,1-2H3,(H2,25,28);2-3,6,9,12H,4-5,7-8,10-11H2,1H3,(H2,20,23)/t2*13-,14+;2*13-,14-;;12-/m1010.1/s1.

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

3-[(2-chloro-3-pyridinyl)sulfanyl]-6-[(4S)-4-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;6-[(2R,4S)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(2S,4S)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-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-(2,4-dimethyl-8-azaspiro[4.5]decan-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine has a molecular weight of 2579.60 g/mol, XLogP of 29.89, 18 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2-chloro-3-pyridinyl)sulfanyl]-6-[(4S)-4-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;6-[(2R,4S)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(2S,4S)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-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-(2,4-dimethyl-8-azaspiro[4.5]decan-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine is sourced from PubChem (CID 158923581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).