(4R)-8-[5-(2-chloro-3-methylphenyl)sulfanyl-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;5-cyclopentyl-2-[(2,3-dichloro-4-pyridinyl)sulfanyl]-3-methylpyrazine;3-(2,3-dichlorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazine-2-carbonitrile;3-(2,3-dichlorophenyl)sulfanyl-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazine-2-carbonitrile;(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-phenylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-(trifluoromethyl)pyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;2-[(2,3-dichloro-4-pyridinyl)sulfanyl]-3-methyl-5-(3-methylcyclopentyl)pyrazine

C139H149Cl13F3N23S7 — CID 159713100

About (4R)-8-[5-(2-chloro-3-methylphenyl)sulfanyl-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;5-cyclopentyl-2-[(2,3-dichloro-4-pyridinyl)sulfanyl]-3-methylpyrazine;3-(2,3-dichlorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazine-2-carbonitrile;3-(2,3-dichlorophenyl)sulfanyl-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazine-2-carbonitrile;(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-phenylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-(trifluoromethyl)pyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;2-[(2,3-dichloro-4-pyridinyl)sulfanyl]-3-methyl-5-(3-methylcyclopentyl)pyrazine

(4R)-8-[5-(2-chloro-3-methylphenyl)sulfanyl-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;5-cyclopentyl-2-[(2,3-dichloro-4-pyridinyl)sulfanyl]-3-methylpyrazine;3-(2,3-dichlorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazine-2-carbonitrile;3-(2,3-dichlorophenyl)sulfanyl-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazine-2-carbonitrile;(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-phenylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-(trifluoromethyl)pyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;2-[(2,3-dichloro-4-pyridinyl)sulfanyl]-3-methyl-5-(3-methylcyclopentyl)pyrazine (PubChem CID 159713100) has the molecular formula C139H149Cl13F3N23S7 and a molecular weight of 2884.23 g/mol. Its IUPAC name is (4R)-8-[5-(2-chloro-3-methylphenyl)sulfanyl-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;5-cyclopentyl-2-[(2,3-dichloro-4-pyridinyl)sulfanyl]-3-methylpyrazine;3-(2,3-dichlorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazine-2-carbonitrile;3-(2,3-dichlorophenyl)sulfanyl-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazine-2-carbonitrile;(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-phenylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-(trifluoromethyl)pyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;2-[(2,3-dichloro-4-pyridinyl)sulfanyl]-3-methyl-5-(3-methylcyclopentyl)pyrazine.

Molecular Properties

• Compound Name: (4R)-8-[5-(2-chloro-3-methylphenyl)sulfanyl-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;5-cyclopentyl-2-[(2,3-dichloro-4-pyridinyl)sulfanyl]-3-methylpyrazine;3-(2,3-dichlorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazine-2-carbonitrile;3-(2,3-dichlorophenyl)sulfanyl-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazine-2-carbonitrile;(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-phenylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-(trifluoromethyl)pyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;2-[(2,3-dichloro-4-pyridinyl)sulfanyl]-3-methyl-5-(3-methylcyclopentyl)pyrazine
• PubChem CID: 159713100
• Molecular Formula: C139H149Cl13F3N23S7
• Molecular Weight: 2884.23 g/mol
• Exact Mass: 2875.63
• IUPAC Name: (4R)-8-[5-(2-chloro-3-methylphenyl)sulfanyl-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;5-cyclopentyl-2-[(2,3-dichloro-4-pyridinyl)sulfanyl]-3-methylpyrazine;3-(2,3-dichlorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazine-2-carbonitrile;3-(2,3-dichlorophenyl)sulfanyl-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazine-2-carbonitrile;(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-phenylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-(trifluoromethyl)pyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;2-[(2,3-dichloro-4-pyridinyl)sulfanyl]-3-methyl-5-(3-methylcyclopentyl)pyrazine
• SMILES: CC1(C)CCN(c2cnc(Sc3cccc(Cl)c3Cl)c(C#N)n2)CC1.C[C@@H]1CCCC12CCN(c1cnc(Sc3cccc(Cl)c3Cl)c(-c3ccccc3)n1)CC2.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.Cc1cccc(Sc2ncc(N3CCC4(CCC[C@H]4C)CC3)nc2C)c1Cl.Cc1nc(C2CCC(C)C2)cnc1Sc1ccnc(Cl)c1Cl.Cc1nc(C2CCCC2)cnc1Sc1ccnc(Cl)c1Cl
• InChI: InChI=1S/C26H27Cl2N3S.C22H28ClN3S.C21H22Cl2F3N3S.C21H22Cl2N4S.C18H18Cl2N4S.C16H17Cl2N3S.C15H15Cl2N3S/c1-18-7-6-12-26(18)13-15-31(16-14-26)22-17-29-25(24(30-22)19-8-3-2-4-9-19)32-21-11-5-10-20(27)23(21)28;1-15-6-4-8-18(20(15)23)27-21-17(3)25-19(14-24-21)26-12-10-22(11-13-26)9-5-7-16(22)2;1-13-4-3-7-20(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;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;1-18(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;1-9-3-4-11(7-9)12-8-20-16(10(2)21-12)22-13-5-6-19-15(18)14(13)17;1-9-15(21-12-6-7-18-14(17)13(12)16)19-8-11(20-9)10-4-2-3-5-10/h2-5,8-11,17-18H,6-7,12-16H2,1H3;4,6,8,14,16H,5,7,9-13H2,1-3H3;2,5-6,12-13H,3-4,7-11H2,1H3;2,5-6,13-14H,3-4,7-11H2,1H3;3-5,11H,6-9H2,1-2H3;5-6,8-9,11H,3-4,7H2,1-2H3;6-8,10H,2-5H2,1H3/t18-;16-;13-;14-;;;/m1111.../s1
• InChIKey: MZBYUIXLPZAHIY-JAQOXMALSA-N
• XLogP: 44.16
• TPSA: 270.02 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 22
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2884.23
LogP ≤ 5	44.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4R)-8-[5-(2-chloro-3-methylphenyl)sulfanyl-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;5-cyclopentyl-2-[(2,3-dichloro-4-pyridinyl)sulfanyl]-3-methylpyrazine;3-(2,3-dichlorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazine-2-carbonitrile;3-(2,3-dichlorophenyl)sulfanyl-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazine-2-carbonitrile;(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-phenylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-(trifluoromethyl)pyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;2-[(2,3-dichloro-4-pyridinyl)sulfanyl]-3-methyl-5-(3-methylcyclopentyl)pyrazine?

The IUPAC name of (4R)-8-[5-(2-chloro-3-methylphenyl)sulfanyl-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;5-cyclopentyl-2-[(2,3-dichloro-4-pyridinyl)sulfanyl]-3-methylpyrazine;3-(2,3-dichlorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazine-2-carbonitrile;3-(2,3-dichlorophenyl)sulfanyl-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazine-2-carbonitrile;(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-phenylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-(trifluoromethyl)pyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;2-[(2,3-dichloro-4-pyridinyl)sulfanyl]-3-methyl-5-(3-methylcyclopentyl)pyrazine (CID 159713100) is (4R)-8-[5-(2-chloro-3-methylphenyl)sulfanyl-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;5-cyclopentyl-2-[(2,3-dichloro-4-pyridinyl)sulfanyl]-3-methylpyrazine;3-(2,3-dichlorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazine-2-carbonitrile;3-(2,3-dichlorophenyl)sulfanyl-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazine-2-carbonitrile;(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-phenylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-(trifluoromethyl)pyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;2-[(2,3-dichloro-4-pyridinyl)sulfanyl]-3-methyl-5-(3-methylcyclopentyl)pyrazine.

What is the SMILES notation for (4R)-8-[5-(2-chloro-3-methylphenyl)sulfanyl-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;5-cyclopentyl-2-[(2,3-dichloro-4-pyridinyl)sulfanyl]-3-methylpyrazine;3-(2,3-dichlorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazine-2-carbonitrile;3-(2,3-dichlorophenyl)sulfanyl-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazine-2-carbonitrile;(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-phenylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-(trifluoromethyl)pyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;2-[(2,3-dichloro-4-pyridinyl)sulfanyl]-3-methyl-5-(3-methylcyclopentyl)pyrazine?

The canonical SMILES for (4R)-8-[5-(2-chloro-3-methylphenyl)sulfanyl-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;5-cyclopentyl-2-[(2,3-dichloro-4-pyridinyl)sulfanyl]-3-methylpyrazine;3-(2,3-dichlorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazine-2-carbonitrile;3-(2,3-dichlorophenyl)sulfanyl-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazine-2-carbonitrile;(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-phenylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-(trifluoromethyl)pyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;2-[(2,3-dichloro-4-pyridinyl)sulfanyl]-3-methyl-5-(3-methylcyclopentyl)pyrazine is CC1(C)CCN(c2cnc(Sc3cccc(Cl)c3Cl)c(C#N)n2)CC1.C[C@@H]1CCCC12CCN(c1cnc(Sc3cccc(Cl)c3Cl)c(-c3ccccc3)n1)CC2.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.Cc1cccc(Sc2ncc(N3CCC4(CCC[C@H]4C)CC3)nc2C)c1Cl.Cc1nc(C2CCC(C)C2)cnc1Sc1ccnc(Cl)c1Cl.Cc1nc(C2CCCC2)cnc1Sc1ccnc(Cl)c1Cl.

What is the InChIKey of (4R)-8-[5-(2-chloro-3-methylphenyl)sulfanyl-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;5-cyclopentyl-2-[(2,3-dichloro-4-pyridinyl)sulfanyl]-3-methylpyrazine;3-(2,3-dichlorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazine-2-carbonitrile;3-(2,3-dichlorophenyl)sulfanyl-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazine-2-carbonitrile;(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-phenylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-(trifluoromethyl)pyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;2-[(2,3-dichloro-4-pyridinyl)sulfanyl]-3-methyl-5-(3-methylcyclopentyl)pyrazine?

The InChIKey is MZBYUIXLPZAHIY-JAQOXMALSA-N. The full InChI is InChI=1S/C26H27Cl2N3S.C22H28ClN3S.C21H22Cl2F3N3S.C21H22Cl2N4S.C18H18Cl2N4S.C16H17Cl2N3S.C15H15Cl2N3S/c1-18-7-6-12-26(18)13-15-31(16-14-26)22-17-29-25(24(30-22)19-8-3-2-4-9-19)32-21-11-5-10-20(27)23(21)28;1-15-6-4-8-18(20(15)23)27-21-17(3)25-19(14-24-21)26-12-10-22(11-13-26)9-5-7-16(22)2;1-13-4-3-7-20(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;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;1-18(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;1-9-3-4-11(7-9)12-8-20-16(10(2)21-12)22-13-5-6-19-15(18)14(13)17;1-9-15(21-12-6-7-18-14(17)13(12)16)19-8-11(20-9)10-4-2-3-5-10/h2-5,8-11,17-18H,6-7,12-16H2,1H3;4,6,8,14,16H,5,7,9-13H2,1-3H3;2,5-6,12-13H,3-4,7-11H2,1H3;2,5-6,13-14H,3-4,7-11H2,1H3;3-5,11H,6-9H2,1-2H3;5-6,8-9,11H,3-4,7H2,1-2H3;6-8,10H,2-5H2,1H3/t18-;16-;13-;14-;;;/m1111.../s1.

What are the key properties of (4R)-8-[5-(2-chloro-3-methylphenyl)sulfanyl-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;5-cyclopentyl-2-[(2,3-dichloro-4-pyridinyl)sulfanyl]-3-methylpyrazine;3-(2,3-dichlorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazine-2-carbonitrile;3-(2,3-dichlorophenyl)sulfanyl-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazine-2-carbonitrile;(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-phenylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-(trifluoromethyl)pyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;2-[(2,3-dichloro-4-pyridinyl)sulfanyl]-3-methyl-5-(3-methylcyclopentyl)pyrazine?

(4R)-8-[5-(2-chloro-3-methylphenyl)sulfanyl-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;5-cyclopentyl-2-[(2,3-dichloro-4-pyridinyl)sulfanyl]-3-methylpyrazine;3-(2,3-dichlorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazine-2-carbonitrile;3-(2,3-dichlorophenyl)sulfanyl-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazine-2-carbonitrile;(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-phenylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-(trifluoromethyl)pyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;2-[(2,3-dichloro-4-pyridinyl)sulfanyl]-3-methyl-5-(3-methylcyclopentyl)pyrazine has a molecular weight of 2884.23 g/mol, XLogP of 44.16, 22 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-8-[5-(2-chloro-3-methylphenyl)sulfanyl-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;5-cyclopentyl-2-[(2,3-dichloro-4-pyridinyl)sulfanyl]-3-methylpyrazine;3-(2,3-dichlorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazine-2-carbonitrile;3-(2,3-dichlorophenyl)sulfanyl-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazine-2-carbonitrile;(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-phenylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-(trifluoromethyl)pyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;2-[(2,3-dichloro-4-pyridinyl)sulfanyl]-3-methyl-5-(3-methylcyclopentyl)pyrazine is sourced from PubChem (CID 159713100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).