3-chloro-4-[3-methyl-5-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylpyridin-2-amine;(4R)-8-[6-cyclopropyl-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;3-(2,3-dichlorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazine-2-carbonitrile;(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-ethylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;3-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazine-2-carbonitrile

C124H144Cl11N23S6 — CID 159111529

About 3-chloro-4-[3-methyl-5-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylpyridin-2-amine;(4R)-8-[6-cyclopropyl-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;3-(2,3-dichlorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazine-2-carbonitrile;(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-ethylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;3-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazine-2-carbonitrile

3-chloro-4-[3-methyl-5-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylpyridin-2-amine;(4R)-8-[6-cyclopropyl-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;3-(2,3-dichlorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazine-2-carbonitrile;(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-ethylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;3-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazine-2-carbonitrile (PubChem CID 159111529) has the molecular formula C124H144Cl11N23S6 and a molecular weight of 2539.06 g/mol. Its IUPAC name is 3-chloro-4-[3-methyl-5-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylpyridin-2-amine;(4R)-8-[6-cyclopropyl-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;3-(2,3-dichlorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazine-2-carbonitrile;(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-ethylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;3-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazine-2-carbonitrile.

Molecular Properties

• Compound Name: 3-chloro-4-[3-methyl-5-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylpyridin-2-amine;(4R)-8-[6-cyclopropyl-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;3-(2,3-dichlorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazine-2-carbonitrile;(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-ethylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;3-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazine-2-carbonitrile
• PubChem CID: 159111529
• Molecular Formula: C124H144Cl11N23S6
• Molecular Weight: 2539.06 g/mol
• Exact Mass: 2531.69
• IUPAC Name: 3-chloro-4-[3-methyl-5-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylpyridin-2-amine;(4R)-8-[6-cyclopropyl-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;3-(2,3-dichlorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazine-2-carbonitrile;(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-ethylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;3-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazine-2-carbonitrile
• SMILES: CC1(C)CCN(c2cnc(Sc3cccc(Cl)c3Cl)c(C#N)n2)CC1.CCc1nc(N2CCC3(CCC[C@H]3C)CC2)cnc1Sc1cccc(Cl)c1Cl.C[C@@H]1CCCC12CCN(c1cnc(Sc3cccc(Cl)c3Cl)c(C3CC3)n1)CC2.C[C@@H]1CCCC12CCN(c1cnc(Sc3ccnc(Cl)c3Cl)c(C#N)n1)CC2.Cc1nc(N2CCC3(CCC[C@H]3C)CC2)cnc1Sc1cccc(Cl)c1Cl.Cc1nc(N2CCC3(CCC[C@H]3C)CC2)cnc1Sc1ccnc(N)c1Cl
• InChI: InChI=1S/C23H27Cl2N3S.C22H27Cl2N3S.C21H25Cl2N3S.C20H21Cl2N5S.C20H26ClN5S.C18H18Cl2N4S/c1-15-4-3-9-23(15)10-12-28(13-11-23)19-14-26-22(21(27-19)16-7-8-16)29-18-6-2-5-17(24)20(18)25;1-3-17-21(28-18-8-4-7-16(23)20(18)24)25-14-19(26-17)27-12-10-22(11-13-27)9-5-6-15(22)2;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(22)19(17)23;1-13-3-2-5-20(13)6-9-27(10-7-20)16-12-25-19(14(11-23)26-16)28-15-4-8-24-18(22)17(15)21;1-13-4-3-6-20(13)7-10-26(11-8-20)16-12-24-19(14(2)25-16)27-15-5-9-23-18(22)17(15)21;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/h2,5-6,14-16H,3-4,7-13H2,1H3;4,7-8,14-15H,3,5-6,9-13H2,1-2H3;3,6-7,13-14H,4-5,8-12H2,1-2H3;4,8,12-13H,2-3,5-7,9-10H2,1H3;5,9,12-13H,3-4,6-8,10-11H2,1-2H3,(H2,22,23);3-5,11H,6-9H2,1-2H3/t2*15-;14-;2*13-;/m11111./s1
• InChIKey: KEOFCEXVJHFLJY-AYZKLJBMSA-N
• XLogP: 36.79
• TPSA: 273.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 29
• Rotatable Bonds: 20
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2539.06
LogP ≤ 5	36.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[3-methyl-5-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylpyridin-2-amine;(4R)-8-[6-cyclopropyl-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;3-(2,3-dichlorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazine-2-carbonitrile;(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-ethylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;3-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazine-2-carbonitrile?

The IUPAC name of 3-chloro-4-[3-methyl-5-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylpyridin-2-amine;(4R)-8-[6-cyclopropyl-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;3-(2,3-dichlorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazine-2-carbonitrile;(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-ethylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;3-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazine-2-carbonitrile (CID 159111529) is 3-chloro-4-[3-methyl-5-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylpyridin-2-amine;(4R)-8-[6-cyclopropyl-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;3-(2,3-dichlorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazine-2-carbonitrile;(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-ethylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;3-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazine-2-carbonitrile.

What is the SMILES notation for 3-chloro-4-[3-methyl-5-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylpyridin-2-amine;(4R)-8-[6-cyclopropyl-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;3-(2,3-dichlorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazine-2-carbonitrile;(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-ethylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;3-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazine-2-carbonitrile?

The canonical SMILES for 3-chloro-4-[3-methyl-5-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylpyridin-2-amine;(4R)-8-[6-cyclopropyl-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;3-(2,3-dichlorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazine-2-carbonitrile;(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-ethylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;3-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazine-2-carbonitrile is CC1(C)CCN(c2cnc(Sc3cccc(Cl)c3Cl)c(C#N)n2)CC1.CCc1nc(N2CCC3(CCC[C@H]3C)CC2)cnc1Sc1cccc(Cl)c1Cl.C[C@@H]1CCCC12CCN(c1cnc(Sc3cccc(Cl)c3Cl)c(C3CC3)n1)CC2.C[C@@H]1CCCC12CCN(c1cnc(Sc3ccnc(Cl)c3Cl)c(C#N)n1)CC2.Cc1nc(N2CCC3(CCC[C@H]3C)CC2)cnc1Sc1cccc(Cl)c1Cl.Cc1nc(N2CCC3(CCC[C@H]3C)CC2)cnc1Sc1ccnc(N)c1Cl.

What is the InChIKey of 3-chloro-4-[3-methyl-5-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylpyridin-2-amine;(4R)-8-[6-cyclopropyl-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;3-(2,3-dichlorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazine-2-carbonitrile;(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-ethylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;3-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazine-2-carbonitrile?

The InChIKey is KEOFCEXVJHFLJY-AYZKLJBMSA-N. The full InChI is InChI=1S/C23H27Cl2N3S.C22H27Cl2N3S.C21H25Cl2N3S.C20H21Cl2N5S.C20H26ClN5S.C18H18Cl2N4S/c1-15-4-3-9-23(15)10-12-28(13-11-23)19-14-26-22(21(27-19)16-7-8-16)29-18-6-2-5-17(24)20(18)25;1-3-17-21(28-18-8-4-7-16(23)20(18)24)25-14-19(26-17)27-12-10-22(11-13-27)9-5-6-15(22)2;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(22)19(17)23;1-13-3-2-5-20(13)6-9-27(10-7-20)16-12-25-19(14(11-23)26-16)28-15-4-8-24-18(22)17(15)21;1-13-4-3-6-20(13)7-10-26(11-8-20)16-12-24-19(14(2)25-16)27-15-5-9-23-18(22)17(15)21;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/h2,5-6,14-16H,3-4,7-13H2,1H3;4,7-8,14-15H,3,5-6,9-13H2,1-2H3;3,6-7,13-14H,4-5,8-12H2,1-2H3;4,8,12-13H,2-3,5-7,9-10H2,1H3;5,9,12-13H,3-4,6-8,10-11H2,1-2H3,(H2,22,23);3-5,11H,6-9H2,1-2H3/t2*15-;14-;2*13-;/m11111./s1.

What are the key properties of 3-chloro-4-[3-methyl-5-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylpyridin-2-amine;(4R)-8-[6-cyclopropyl-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;3-(2,3-dichlorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazine-2-carbonitrile;(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-ethylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;3-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazine-2-carbonitrile?

3-chloro-4-[3-methyl-5-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylpyridin-2-amine;(4R)-8-[6-cyclopropyl-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;3-(2,3-dichlorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazine-2-carbonitrile;(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-ethylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;3-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazine-2-carbonitrile has a molecular weight of 2539.06 g/mol, XLogP of 36.79, 20 rotatable bonds, 1 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-4-[3-methyl-5-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylpyridin-2-amine;(4R)-8-[6-cyclopropyl-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;3-(2,3-dichlorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazine-2-carbonitrile;(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-ethylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;3-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 159111529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).