(4R)-8-[6-cyclopropyl-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;2-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-3-(trifluoromethyl)pyrazine;(4R)-8-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-ethylpyrazin-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]pyrazin-2-yl]methanamine;(4R)-8-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;(4R)-8-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-(trifluoromethyl)pyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane

C121H140Cl12F6N24S6 — CID 159756417

About (4R)-8-[6-cyclopropyl-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;2-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-3-(trifluoromethyl)pyrazine;(4R)-8-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-ethylpyrazin-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]pyrazin-2-yl]methanamine;(4R)-8-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;(4R)-8-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-(trifluoromethyl)pyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane

(4R)-8-[6-cyclopropyl-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;2-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-3-(trifluoromethyl)pyrazine;(4R)-8-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-ethylpyrazin-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]pyrazin-2-yl]methanamine;(4R)-8-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;(4R)-8-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-(trifluoromethyl)pyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane (PubChem CID 159756417) has the molecular formula C121H140Cl12F6N24S6 and a molecular weight of 2662.44 g/mol. Its IUPAC name is (4R)-8-[6-cyclopropyl-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;2-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-3-(trifluoromethyl)pyrazine;(4R)-8-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-ethylpyrazin-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]pyrazin-2-yl]methanamine;(4R)-8-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;(4R)-8-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-(trifluoromethyl)pyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane.

Molecular Properties

• Compound Name: (4R)-8-[6-cyclopropyl-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;2-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-3-(trifluoromethyl)pyrazine;(4R)-8-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-ethylpyrazin-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]pyrazin-2-yl]methanamine;(4R)-8-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;(4R)-8-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-(trifluoromethyl)pyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane
• PubChem CID: 159756417
• Molecular Formula: C121H140Cl12F6N24S6
• Molecular Weight: 2662.44 g/mol
• Exact Mass: 2654.62
• IUPAC Name: (4R)-8-[6-cyclopropyl-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;2-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-3-(trifluoromethyl)pyrazine;(4R)-8-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-ethylpyrazin-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]pyrazin-2-yl]methanamine;(4R)-8-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;(4R)-8-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-(trifluoromethyl)pyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane
• SMILES: CC1(C)CCN(c2cnc(Sc3cccc(Cl)c3Cl)c(C(F)(F)F)n2)CC1.CCc1nc(N2CCC3(CCC[C@H]3C)CC2)cnc1Sc1ccnc(Cl)c1Cl.C[C@@H]1CCCC12CCN(c1cnc(Sc3ccnc(Cl)c3Cl)c(C(F)(F)F)n1)CC2.C[C@@H]1CCCC12CCN(c1cnc(Sc3ccnc(Cl)c3Cl)c(C3CC3)n1)CC2.C[C@@H]1CCCC12CCN(c1cnc(Sc3ccnc(Cl)c3Cl)c(CN)n1)CC2.Cc1nc(N2CCC3(CCC[C@H]3C)CC2)cnc1Sc1ccnc(Cl)c1Cl
• InChI: InChI=1S/C22H26Cl2N4S.C21H26Cl2N4S.C20H21Cl2F3N4S.C20H25Cl2N5S.C20H24Cl2N4S.C18H18Cl2F3N3S/c1-14-3-2-7-22(14)8-11-28(12-9-22)17-13-26-21(19(27-17)15-4-5-15)29-16-6-10-25-20(24)18(16)23;1-3-15-20(28-16-6-10-24-19(23)18(16)22)25-13-17(26-15)27-11-8-21(9-12-27)7-4-5-14(21)2;1-12-3-2-5-19(12)6-9-29(10-7-19)14-11-27-18(16(28-14)20(23,24)25)30-13-4-8-26-17(22)15(13)21;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;1-17(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/h6,10,13-15H,2-5,7-9,11-12H2,1H3;6,10,13-14H,3-5,7-9,11-12H2,1-2H3;4,8,11-12H,2-3,5-7,9-10H2,1H3;4,8,12-13H,2-3,5-7,9-11,23H2,1H3;5,9,12-13H,3-4,6-8,10-11H2,1-2H3;3-5,10H,6-9H2,1-2H3/t2*14-;12-;2*13-;/m11111./s1
• InChIKey: NEHXSVSGNCJGLG-YPWIXWLYSA-N
• XLogP: 37.49
• TPSA: 264.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 30
• Rotatable Bonds: 21
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2662.44
LogP ≤ 5	37.49
H-Bond Donors ≤ 5	1
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-[6-cyclopropyl-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;2-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-3-(trifluoromethyl)pyrazine;(4R)-8-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-ethylpyrazin-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]pyrazin-2-yl]methanamine;(4R)-8-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;(4R)-8-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-(trifluoromethyl)pyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane?

The IUPAC name of (4R)-8-[6-cyclopropyl-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;2-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-3-(trifluoromethyl)pyrazine;(4R)-8-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-ethylpyrazin-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]pyrazin-2-yl]methanamine;(4R)-8-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;(4R)-8-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-(trifluoromethyl)pyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane (CID 159756417) is (4R)-8-[6-cyclopropyl-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;2-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-3-(trifluoromethyl)pyrazine;(4R)-8-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-ethylpyrazin-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]pyrazin-2-yl]methanamine;(4R)-8-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;(4R)-8-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-(trifluoromethyl)pyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane.

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

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

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

The InChIKey is NEHXSVSGNCJGLG-YPWIXWLYSA-N. The full InChI is InChI=1S/C22H26Cl2N4S.C21H26Cl2N4S.C20H21Cl2F3N4S.C20H25Cl2N5S.C20H24Cl2N4S.C18H18Cl2F3N3S/c1-14-3-2-7-22(14)8-11-28(12-9-22)17-13-26-21(19(27-17)15-4-5-15)29-16-6-10-25-20(24)18(16)23;1-3-15-20(28-16-6-10-24-19(23)18(16)22)25-13-17(26-15)27-11-8-21(9-12-27)7-4-5-14(21)2;1-12-3-2-5-19(12)6-9-29(10-7-19)14-11-27-18(16(28-14)20(23,24)25)30-13-4-8-26-17(22)15(13)21;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;1-17(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/h6,10,13-15H,2-5,7-9,11-12H2,1H3;6,10,13-14H,3-5,7-9,11-12H2,1-2H3;4,8,11-12H,2-3,5-7,9-10H2,1H3;4,8,12-13H,2-3,5-7,9-11,23H2,1H3;5,9,12-13H,3-4,6-8,10-11H2,1-2H3;3-5,10H,6-9H2,1-2H3/t2*14-;12-;2*13-;/m11111./s1.

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

(4R)-8-[6-cyclopropyl-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;2-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-3-(trifluoromethyl)pyrazine;(4R)-8-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-ethylpyrazin-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]pyrazin-2-yl]methanamine;(4R)-8-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;(4R)-8-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-(trifluoromethyl)pyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane has a molecular weight of 2662.44 g/mol, XLogP of 37.49, 21 rotatable bonds, 1 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-8-[6-cyclopropyl-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;2-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-3-(trifluoromethyl)pyrazine;(4R)-8-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-ethylpyrazin-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]pyrazin-2-yl]methanamine;(4R)-8-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;(4R)-8-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-(trifluoromethyl)pyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane is sourced from PubChem (CID 159756417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).