2-chloro-3-[3-methyl-5-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylaniline;3-(2,3-dichlorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazine-2-carbonitrile;2-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-3-(trifluoromethyl)pyrazine;3-(2,3-dichlorophenyl)sulfanyl-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazine-2-carbonitrile;[3-(2,3-dichlorophenyl)sulfanyl-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanamine;(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-(trifluoromethyl)pyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane

C120H133Cl11F6N22S6 — CID 158578329

About 2-chloro-3-[3-methyl-5-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylaniline;3-(2,3-dichlorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazine-2-carbonitrile;2-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-3-(trifluoromethyl)pyrazine;3-(2,3-dichlorophenyl)sulfanyl-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazine-2-carbonitrile;[3-(2,3-dichlorophenyl)sulfanyl-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanamine;(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-(trifluoromethyl)pyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane

2-chloro-3-[3-methyl-5-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylaniline;3-(2,3-dichlorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazine-2-carbonitrile;2-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-3-(trifluoromethyl)pyrazine;3-(2,3-dichlorophenyl)sulfanyl-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazine-2-carbonitrile;[3-(2,3-dichlorophenyl)sulfanyl-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanamine;(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-(trifluoromethyl)pyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane (PubChem CID 158578329) has the molecular formula C120H133Cl11F6N22S6 and a molecular weight of 2579.91 g/mol. Its IUPAC name is 2-chloro-3-[3-methyl-5-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylaniline;3-(2,3-dichlorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazine-2-carbonitrile;2-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-3-(trifluoromethyl)pyrazine;3-(2,3-dichlorophenyl)sulfanyl-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazine-2-carbonitrile;[3-(2,3-dichlorophenyl)sulfanyl-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanamine;(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-(trifluoromethyl)pyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane.

Molecular Properties

• Compound Name: 2-chloro-3-[3-methyl-5-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylaniline;3-(2,3-dichlorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazine-2-carbonitrile;2-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-3-(trifluoromethyl)pyrazine;3-(2,3-dichlorophenyl)sulfanyl-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazine-2-carbonitrile;[3-(2,3-dichlorophenyl)sulfanyl-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanamine;(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-(trifluoromethyl)pyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane
• PubChem CID: 158578329
• Molecular Formula: C120H133Cl11F6N22S6
• Molecular Weight: 2579.91 g/mol
• Exact Mass: 2572.59
• IUPAC Name: 2-chloro-3-[3-methyl-5-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylaniline;3-(2,3-dichlorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazine-2-carbonitrile;2-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-3-(trifluoromethyl)pyrazine;3-(2,3-dichlorophenyl)sulfanyl-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazine-2-carbonitrile;[3-(2,3-dichlorophenyl)sulfanyl-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanamine;(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-(trifluoromethyl)pyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane
• SMILES: CC1(C)CCN(c2cnc(Sc3cccc(Cl)c3Cl)c(C#N)n2)CC1.CC1(C)CCN(c2cnc(Sc3cccc(Cl)c3Cl)c(C(F)(F)F)n2)CC1.C[C@@H]1CCCC12CCN(c1cnc(Sc3cccc(Cl)c3Cl)c(C#N)n1)CC2.C[C@@H]1CCCC12CCN(c1cnc(Sc3cccc(Cl)c3Cl)c(C(F)(F)F)n1)CC2.C[C@@H]1CCCC12CCN(c1cnc(Sc3cccc(Cl)c3Cl)c(CN)n1)CC2.Cc1nc(N2CCC3(CCC[C@H]3C)CC2)cnc1Sc1cccc(N)c1Cl
• InChI: InChI=1S/C21H22Cl2F3N3S.C21H26Cl2N4S.C21H22Cl2N4S.C21H27ClN4S.C18H18Cl2F3N3S.C18H18Cl2N4S/c1-13-4-3-7-20(13)8-10-29(11-9-20)16-12-27-19(18(28-16)21(24,25)26)30-15-6-2-5-14(22)17(15)23;2*1-14-4-3-7-21(14)8-10-27(11-9-21)18-13-25-20(16(12-24)26-18)28-17-6-2-5-15(22)19(17)23;1-14-5-4-8-21(14)9-11-26(12-10-21)18-13-24-20(15(2)25-18)27-17-7-3-6-16(23)19(17)22;1-17(2)6-8-26(9-7-17)13-10-24-16(15(25-13)18(21,22)23)27-12-5-3-4-11(19)14(12)20;1-18(2)6-8-24(9-7-18)15-11-22-17(13(10-21)23-15)25-14-5-3-4-12(19)16(14)20/h2,5-6,12-13H,3-4,7-11H2,1H3;2,5-6,13-14H,3-4,7-12,24H2,1H3;2,5-6,13-14H,3-4,7-11H2,1H3;3,6-7,13-14H,4-5,8-12,23H2,1-2H3;3-5,10H,6-9H2,1-2H3;3-5,11H,6-9H2,1-2H3/t13-;3*14-;;/m1111../s1
• InChIKey: HSYAQCWBTKRWLZ-VEEJYIGMSA-N
• XLogP: 36.96
• TPSA: 273.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 28
• Rotatable Bonds: 19
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2579.91
LogP ≤ 5	36.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[3-methyl-5-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylaniline;3-(2,3-dichlorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazine-2-carbonitrile;2-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-3-(trifluoromethyl)pyrazine;3-(2,3-dichlorophenyl)sulfanyl-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazine-2-carbonitrile;[3-(2,3-dichlorophenyl)sulfanyl-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanamine;(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-(trifluoromethyl)pyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane?

The IUPAC name of 2-chloro-3-[3-methyl-5-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylaniline;3-(2,3-dichlorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazine-2-carbonitrile;2-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-3-(trifluoromethyl)pyrazine;3-(2,3-dichlorophenyl)sulfanyl-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazine-2-carbonitrile;[3-(2,3-dichlorophenyl)sulfanyl-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanamine;(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-(trifluoromethyl)pyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane (CID 158578329) is 2-chloro-3-[3-methyl-5-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylaniline;3-(2,3-dichlorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazine-2-carbonitrile;2-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-3-(trifluoromethyl)pyrazine;3-(2,3-dichlorophenyl)sulfanyl-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazine-2-carbonitrile;[3-(2,3-dichlorophenyl)sulfanyl-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanamine;(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-(trifluoromethyl)pyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane.

What is the SMILES notation for 2-chloro-3-[3-methyl-5-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylaniline;3-(2,3-dichlorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazine-2-carbonitrile;2-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-3-(trifluoromethyl)pyrazine;3-(2,3-dichlorophenyl)sulfanyl-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazine-2-carbonitrile;[3-(2,3-dichlorophenyl)sulfanyl-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanamine;(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-(trifluoromethyl)pyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane?

The canonical SMILES for 2-chloro-3-[3-methyl-5-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylaniline;3-(2,3-dichlorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazine-2-carbonitrile;2-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-3-(trifluoromethyl)pyrazine;3-(2,3-dichlorophenyl)sulfanyl-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazine-2-carbonitrile;[3-(2,3-dichlorophenyl)sulfanyl-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanamine;(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-(trifluoromethyl)pyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane is CC1(C)CCN(c2cnc(Sc3cccc(Cl)c3Cl)c(C#N)n2)CC1.CC1(C)CCN(c2cnc(Sc3cccc(Cl)c3Cl)c(C(F)(F)F)n2)CC1.C[C@@H]1CCCC12CCN(c1cnc(Sc3cccc(Cl)c3Cl)c(C#N)n1)CC2.C[C@@H]1CCCC12CCN(c1cnc(Sc3cccc(Cl)c3Cl)c(C(F)(F)F)n1)CC2.C[C@@H]1CCCC12CCN(c1cnc(Sc3cccc(Cl)c3Cl)c(CN)n1)CC2.Cc1nc(N2CCC3(CCC[C@H]3C)CC2)cnc1Sc1cccc(N)c1Cl.

What is the InChIKey of 2-chloro-3-[3-methyl-5-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylaniline;3-(2,3-dichlorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazine-2-carbonitrile;2-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-3-(trifluoromethyl)pyrazine;3-(2,3-dichlorophenyl)sulfanyl-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazine-2-carbonitrile;[3-(2,3-dichlorophenyl)sulfanyl-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanamine;(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-(trifluoromethyl)pyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane?

The InChIKey is HSYAQCWBTKRWLZ-VEEJYIGMSA-N. The full InChI is InChI=1S/C21H22Cl2F3N3S.C21H26Cl2N4S.C21H22Cl2N4S.C21H27ClN4S.C18H18Cl2F3N3S.C18H18Cl2N4S/c1-13-4-3-7-20(13)8-10-29(11-9-20)16-12-27-19(18(28-16)21(24,25)26)30-15-6-2-5-14(22)17(15)23;2*1-14-4-3-7-21(14)8-10-27(11-9-21)18-13-25-20(16(12-24)26-18)28-17-6-2-5-15(22)19(17)23;1-14-5-4-8-21(14)9-11-26(12-10-21)18-13-24-20(15(2)25-18)27-17-7-3-6-16(23)19(17)22;1-17(2)6-8-26(9-7-17)13-10-24-16(15(25-13)18(21,22)23)27-12-5-3-4-11(19)14(12)20;1-18(2)6-8-24(9-7-18)15-11-22-17(13(10-21)23-15)25-14-5-3-4-12(19)16(14)20/h2,5-6,12-13H,3-4,7-11H2,1H3;2,5-6,13-14H,3-4,7-12,24H2,1H3;2,5-6,13-14H,3-4,7-11H2,1H3;3,6-7,13-14H,4-5,8-12,23H2,1-2H3;3-5,10H,6-9H2,1-2H3;3-5,11H,6-9H2,1-2H3/t13-;3*14-;;/m1111../s1.

What are the key properties of 2-chloro-3-[3-methyl-5-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylaniline;3-(2,3-dichlorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazine-2-carbonitrile;2-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-3-(trifluoromethyl)pyrazine;3-(2,3-dichlorophenyl)sulfanyl-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazine-2-carbonitrile;[3-(2,3-dichlorophenyl)sulfanyl-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanamine;(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-(trifluoromethyl)pyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane?

2-chloro-3-[3-methyl-5-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylaniline;3-(2,3-dichlorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazine-2-carbonitrile;2-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-3-(trifluoromethyl)pyrazine;3-(2,3-dichlorophenyl)sulfanyl-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazine-2-carbonitrile;[3-(2,3-dichlorophenyl)sulfanyl-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanamine;(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-(trifluoromethyl)pyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane has a molecular weight of 2579.91 g/mol, XLogP of 36.96, 19 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-3-[3-methyl-5-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylaniline;3-(2,3-dichlorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazine-2-carbonitrile;2-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-3-(trifluoromethyl)pyrazine;3-(2,3-dichlorophenyl)sulfanyl-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazine-2-carbonitrile;[3-(2,3-dichlorophenyl)sulfanyl-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanamine;(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-(trifluoromethyl)pyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane is sourced from PubChem (CID 158578329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).