3-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2-chloro-3-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(3-chloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;6-(1-methyl-2,8-diazaspiro[4.5]dec-1-en-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;bis(6-(4-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine)

C114H136Cl3F10N31O2S6 — CID 157241444

About 3-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2-chloro-3-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(3-chloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;6-(1-methyl-2,8-diazaspiro[4.5]dec-1-en-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;bis(6-(4-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine)

3-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2-chloro-3-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(3-chloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;6-(1-methyl-2,8-diazaspiro[4.5]dec-1-en-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;bis(6-(4-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine) (PubChem CID 157241444) has the molecular formula C114H136Cl3F10N31O2S6 and a molecular weight of 2461.30 g/mol. Its IUPAC name is 3-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2-chloro-3-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(3-chloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;6-(1-methyl-2,8-diazaspiro[4.5]dec-1-en-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;bis(6-(4-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine).

Molecular Properties

• Compound Name: 3-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2-chloro-3-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(3-chloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;6-(1-methyl-2,8-diazaspiro[4.5]dec-1-en-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;bis(6-(4-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine)
• PubChem CID: 157241444
• Molecular Formula: C114H136Cl3F10N31O2S6
• Molecular Weight: 2461.30 g/mol
• Exact Mass: 2457.87
• IUPAC Name: 3-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2-chloro-3-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(3-chloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;6-(1-methyl-2,8-diazaspiro[4.5]dec-1-en-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;bis(6-(4-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine)
• SMILES: CC1=NCCC12CCN(c1cnc(Sc3cccnc3C(F)(F)F)c(N)n1)CC2.CC1CCOC12CCN(c1cnc(Sc3cccnc3C(F)(F)F)c(N)n1)CC2.CC1CCOC12CCN(c1cnc(Sc3cccnc3C(F)(F)F)c(N)n1)CC2.C[C@@H]1CCCC12CCN(c1cnc(Sc3cccnc3Cl)c(N)n1)CC2.C[C@@H]1CCCC12CCN(c1cnc(Sc3ccnc(F)c3Cl)c(N)n1)CC2.C[C@@H]1CCCC12CCN(c1cnc(Sc3ccncc3Cl)c(N)n1)CC2
• InChI: InChI=1S/C19H23ClFN5S.2C19H24ClN5S.C19H21F3N6S.2C19H22F3N5OS/c1-12-3-2-5-19(12)6-9-26(10-7-19)14-11-24-18(17(22)25-14)27-13-4-8-23-16(21)15(13)20;1-13-4-2-6-19(13)7-10-25(11-8-19)15-12-23-18(17(21)24-15)26-14-5-3-9-22-16(14)20;1-13-3-2-5-19(13)6-9-25(10-7-19)16-12-23-18(17(21)24-16)26-15-4-8-22-11-14(15)20;1-12-18(4-8-24-12)5-9-28(10-6-18)14-11-26-17(16(23)27-14)29-13-3-2-7-25-15(13)19(20,21)22;2*1-12-4-10-28-18(12)5-8-27(9-6-18)14-11-25-17(16(23)26-14)29-13-3-2-7-24-15(13)19(20,21)22/h4,8,11-12H,2-3,5-7,9-10H2,1H3,(H2,22,25);3,5,9,12-13H,2,4,6-8,10-11H2,1H3,(H2,21,24);4,8,11-13H,2-3,5-7,9-10H2,1H3,(H2,21,24);2-3,7,11H,4-6,8-10H2,1H3,(H2,23,27);2*2-3,7,11-12H,4-6,8-10H2,1H3,(H2,23,26)/t12-;2*13-;;;/m111.../s1
• InChIKey: AVGNHBYFGZGMMW-FNOPIAHOSA-N
• XLogP: 26.25
• TPSA: 438.40 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 39
• Rotatable Bonds: 18
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2461.30
LogP ≤ 5	26.25
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2-chloro-3-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(3-chloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;6-(1-methyl-2,8-diazaspiro[4.5]dec-1-en-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;bis(6-(4-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine)?

The IUPAC name of 3-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2-chloro-3-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(3-chloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;6-(1-methyl-2,8-diazaspiro[4.5]dec-1-en-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;bis(6-(4-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine) (CID 157241444) is 3-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2-chloro-3-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(3-chloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;6-(1-methyl-2,8-diazaspiro[4.5]dec-1-en-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;bis(6-(4-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine).

What is the SMILES notation for 3-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2-chloro-3-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(3-chloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;6-(1-methyl-2,8-diazaspiro[4.5]dec-1-en-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;bis(6-(4-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine)?

The canonical SMILES for 3-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2-chloro-3-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(3-chloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;6-(1-methyl-2,8-diazaspiro[4.5]dec-1-en-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;bis(6-(4-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine) is CC1=NCCC12CCN(c1cnc(Sc3cccnc3C(F)(F)F)c(N)n1)CC2.CC1CCOC12CCN(c1cnc(Sc3cccnc3C(F)(F)F)c(N)n1)CC2.CC1CCOC12CCN(c1cnc(Sc3cccnc3C(F)(F)F)c(N)n1)CC2.C[C@@H]1CCCC12CCN(c1cnc(Sc3cccnc3Cl)c(N)n1)CC2.C[C@@H]1CCCC12CCN(c1cnc(Sc3ccnc(F)c3Cl)c(N)n1)CC2.C[C@@H]1CCCC12CCN(c1cnc(Sc3ccncc3Cl)c(N)n1)CC2.

What is the InChIKey of 3-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2-chloro-3-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(3-chloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;6-(1-methyl-2,8-diazaspiro[4.5]dec-1-en-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;bis(6-(4-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine)?

The InChIKey is AVGNHBYFGZGMMW-FNOPIAHOSA-N. The full InChI is InChI=1S/C19H23ClFN5S.2C19H24ClN5S.C19H21F3N6S.2C19H22F3N5OS/c1-12-3-2-5-19(12)6-9-26(10-7-19)14-11-24-18(17(22)25-14)27-13-4-8-23-16(21)15(13)20;1-13-4-2-6-19(13)7-10-25(11-8-19)15-12-23-18(17(21)24-15)26-14-5-3-9-22-16(14)20;1-13-3-2-5-19(13)6-9-25(10-7-19)16-12-23-18(17(21)24-16)26-15-4-8-22-11-14(15)20;1-12-18(4-8-24-12)5-9-28(10-6-18)14-11-26-17(16(23)27-14)29-13-3-2-7-25-15(13)19(20,21)22;2*1-12-4-10-28-18(12)5-8-27(9-6-18)14-11-25-17(16(23)26-14)29-13-3-2-7-24-15(13)19(20,21)22/h4,8,11-12H,2-3,5-7,9-10H2,1H3,(H2,22,25);3,5,9,12-13H,2,4,6-8,10-11H2,1H3,(H2,21,24);4,8,11-13H,2-3,5-7,9-10H2,1H3,(H2,21,24);2-3,7,11H,4-6,8-10H2,1H3,(H2,23,27);2*2-3,7,11-12H,4-6,8-10H2,1H3,(H2,23,26)/t12-;2*13-;;;/m111.../s1.

What are the key properties of 3-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2-chloro-3-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(3-chloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;6-(1-methyl-2,8-diazaspiro[4.5]dec-1-en-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;bis(6-(4-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine)?

3-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2-chloro-3-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(3-chloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;6-(1-methyl-2,8-diazaspiro[4.5]dec-1-en-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;bis(6-(4-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine) has a molecular weight of 2461.30 g/mol, XLogP of 26.25, 18 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2-chloro-3-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(3-chloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;6-(1-methyl-2,8-diazaspiro[4.5]dec-1-en-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;bis(6-(4-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine) is sourced from PubChem (CID 157241444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).