3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dichlorophenyl)sulfanyl-5-methylpyrazine-2-carboxamide;3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-[(2,3-dichloro-4-pyridinyl)sulfanyl]-5-methylpyrazine-2-carboxamide;2-(2,3-dichlorophenyl)sulfanyl-5-[(4,4-dimethylpiperidin-1-yl)methyl]-3-methylpyrazine;2-(3,4-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-3-methylpyrazine;(4R)-8-[5-(3,4-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;2-[(5,6-dichloro-3-pyridinyl)sulfanyl]-5-(4,4-dimethylpiperidin-1-yl)-3-methylpyrazine;(4R)-8-[5-[(5,6-dichloro-3-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane

C136H162Cl14N28O2S7 — CID 158273488

About 3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dichlorophenyl)sulfanyl-5-methylpyrazine-2-carboxamide;3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-[(2,3-dichloro-4-pyridinyl)sulfanyl]-5-methylpyrazine-2-carboxamide;2-(2,3-dichlorophenyl)sulfanyl-5-[(4,4-dimethylpiperidin-1-yl)methyl]-3-methylpyrazine;2-(3,4-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-3-methylpyrazine;(4R)-8-[5-(3,4-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;2-[(5,6-dichloro-3-pyridinyl)sulfanyl]-5-(4,4-dimethylpiperidin-1-yl)-3-methylpyrazine;(4R)-8-[5-[(5,6-dichloro-3-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane

3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dichlorophenyl)sulfanyl-5-methylpyrazine-2-carboxamide;3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-[(2,3-dichloro-4-pyridinyl)sulfanyl]-5-methylpyrazine-2-carboxamide;2-(2,3-dichlorophenyl)sulfanyl-5-[(4,4-dimethylpiperidin-1-yl)methyl]-3-methylpyrazine;2-(3,4-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-3-methylpyrazine;(4R)-8-[5-(3,4-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;2-[(5,6-dichloro-3-pyridinyl)sulfanyl]-5-(4,4-dimethylpiperidin-1-yl)-3-methylpyrazine;(4R)-8-[5-[(5,6-dichloro-3-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane (PubChem CID 158273488) has the molecular formula C136H162Cl14N28O2S7 and a molecular weight of 2941.80 g/mol. Its IUPAC name is 3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dichlorophenyl)sulfanyl-5-methylpyrazine-2-carboxamide;3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-[(2,3-dichloro-4-pyridinyl)sulfanyl]-5-methylpyrazine-2-carboxamide;2-(2,3-dichlorophenyl)sulfanyl-5-[(4,4-dimethylpiperidin-1-yl)methyl]-3-methylpyrazine;2-(3,4-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-3-methylpyrazine;(4R)-8-[5-(3,4-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;2-[(5,6-dichloro-3-pyridinyl)sulfanyl]-5-(4,4-dimethylpiperidin-1-yl)-3-methylpyrazine;(4R)-8-[5-[(5,6-dichloro-3-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane.

Molecular Properties

• Compound Name: 3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dichlorophenyl)sulfanyl-5-methylpyrazine-2-carboxamide;3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-[(2,3-dichloro-4-pyridinyl)sulfanyl]-5-methylpyrazine-2-carboxamide;2-(2,3-dichlorophenyl)sulfanyl-5-[(4,4-dimethylpiperidin-1-yl)methyl]-3-methylpyrazine;2-(3,4-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-3-methylpyrazine;(4R)-8-[5-(3,4-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;2-[(5,6-dichloro-3-pyridinyl)sulfanyl]-5-(4,4-dimethylpiperidin-1-yl)-3-methylpyrazine;(4R)-8-[5-[(5,6-dichloro-3-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane
• PubChem CID: 158273488
• Molecular Formula: C136H162Cl14N28O2S7
• Molecular Weight: 2941.80 g/mol
• Exact Mass: 2932.71
• IUPAC Name: 3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dichlorophenyl)sulfanyl-5-methylpyrazine-2-carboxamide;3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-[(2,3-dichloro-4-pyridinyl)sulfanyl]-5-methylpyrazine-2-carboxamide;2-(2,3-dichlorophenyl)sulfanyl-5-[(4,4-dimethylpiperidin-1-yl)methyl]-3-methylpyrazine;2-(3,4-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-3-methylpyrazine;(4R)-8-[5-(3,4-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;2-[(5,6-dichloro-3-pyridinyl)sulfanyl]-5-(4,4-dimethylpiperidin-1-yl)-3-methylpyrazine;(4R)-8-[5-[(5,6-dichloro-3-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane
• SMILES: Cc1nc(CN2CCC(C)(C)CC2)cnc1Sc1cccc(Cl)c1Cl.Cc1nc(N2CCC(C)(C)CC2)cnc1Sc1ccc(Cl)c(Cl)c1.Cc1nc(N2CCC(C)(C)CC2)cnc1Sc1cnc(Cl)c(Cl)c1.Cc1nc(N2CCC3(CCC[C@H]3C)CC2)cnc1Sc1ccc(Cl)c(Cl)c1.Cc1nc(N2CCC3(CCC[C@H]3C)CC2)cnc1Sc1cnc(Cl)c(Cl)c1.Cc1nc(N2CCC3(CCC[C@H]3N)CC2)c(C(N)=O)nc1Sc1cccc(Cl)c1Cl.Cc1nc(N2CCC3(CCC[C@H]3N)CC2)c(C(N)=O)nc1Sc1ccnc(Cl)c1Cl
• InChI: InChI=1S/C21H25Cl2N5OS.C21H25Cl2N3S.C20H24Cl2N6OS.C20H24Cl2N4S.C19H23Cl2N3S.C18H21Cl2N3S.C17H20Cl2N4S/c1-12-20(30-14-5-2-4-13(22)16(14)23)27-17(18(25)29)19(26-12)28-10-8-21(9-11-28)7-3-6-15(21)24;1-14-4-3-7-21(14)8-10-26(11-9-21)19-13-24-20(15(2)25-19)27-16-5-6-17(22)18(23)12-16;1-11-19(30-12-4-8-25-16(22)14(12)21)27-15(17(24)29)18(26-11)28-9-6-20(7-10-28)5-2-3-13(20)23;1-13-4-3-5-20(13)6-8-26(9-7-20)17-12-24-19(14(2)25-17)27-15-10-16(21)18(22)23-11-15;1-13-18(25-16-6-4-5-15(20)17(16)21)22-11-14(23-13)12-24-9-7-19(2,3)8-10-24;1-12-17(24-13-4-5-14(19)15(20)10-13)21-11-16(22-12)23-8-6-18(2,3)7-9-23;1-11-16(24-12-8-13(18)15(19)20-9-12)21-10-14(22-11)23-6-4-17(2,3)5-7-23/h2,4-5,15H,3,6-11,24H2,1H3,(H2,25,29);5-6,12-14H,3-4,7-11H2,1-2H3;4,8,13H,2-3,5-7,9-10,23H2,1H3,(H2,24,29);10-13H,3-9H2,1-2H3;4-6,11H,7-10,12H2,1-3H3;4-5,10-11H,6-9H2,1-3H3;8-10H,4-7H2,1-3H3/t15-;14-;2*13-;;;/m1111.../s1
• InChIKey: GJIFZYGEZZGMER-GYDDCQKJSA-N
• XLogP: 37.97
• TPSA: 380.03 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 35
• Rotatable Bonds: 24
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2941.80
LogP ≤ 5	37.97
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dichlorophenyl)sulfanyl-5-methylpyrazine-2-carboxamide;3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-[(2,3-dichloro-4-pyridinyl)sulfanyl]-5-methylpyrazine-2-carboxamide;2-(2,3-dichlorophenyl)sulfanyl-5-[(4,4-dimethylpiperidin-1-yl)methyl]-3-methylpyrazine;2-(3,4-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-3-methylpyrazine;(4R)-8-[5-(3,4-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;2-[(5,6-dichloro-3-pyridinyl)sulfanyl]-5-(4,4-dimethylpiperidin-1-yl)-3-methylpyrazine;(4R)-8-[5-[(5,6-dichloro-3-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane?

The IUPAC name of 3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dichlorophenyl)sulfanyl-5-methylpyrazine-2-carboxamide;3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-[(2,3-dichloro-4-pyridinyl)sulfanyl]-5-methylpyrazine-2-carboxamide;2-(2,3-dichlorophenyl)sulfanyl-5-[(4,4-dimethylpiperidin-1-yl)methyl]-3-methylpyrazine;2-(3,4-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-3-methylpyrazine;(4R)-8-[5-(3,4-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;2-[(5,6-dichloro-3-pyridinyl)sulfanyl]-5-(4,4-dimethylpiperidin-1-yl)-3-methylpyrazine;(4R)-8-[5-[(5,6-dichloro-3-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane (CID 158273488) is 3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dichlorophenyl)sulfanyl-5-methylpyrazine-2-carboxamide;3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-[(2,3-dichloro-4-pyridinyl)sulfanyl]-5-methylpyrazine-2-carboxamide;2-(2,3-dichlorophenyl)sulfanyl-5-[(4,4-dimethylpiperidin-1-yl)methyl]-3-methylpyrazine;2-(3,4-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-3-methylpyrazine;(4R)-8-[5-(3,4-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;2-[(5,6-dichloro-3-pyridinyl)sulfanyl]-5-(4,4-dimethylpiperidin-1-yl)-3-methylpyrazine;(4R)-8-[5-[(5,6-dichloro-3-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane.

What is the SMILES notation for 3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dichlorophenyl)sulfanyl-5-methylpyrazine-2-carboxamide;3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-[(2,3-dichloro-4-pyridinyl)sulfanyl]-5-methylpyrazine-2-carboxamide;2-(2,3-dichlorophenyl)sulfanyl-5-[(4,4-dimethylpiperidin-1-yl)methyl]-3-methylpyrazine;2-(3,4-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-3-methylpyrazine;(4R)-8-[5-(3,4-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;2-[(5,6-dichloro-3-pyridinyl)sulfanyl]-5-(4,4-dimethylpiperidin-1-yl)-3-methylpyrazine;(4R)-8-[5-[(5,6-dichloro-3-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane?

The canonical SMILES for 3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dichlorophenyl)sulfanyl-5-methylpyrazine-2-carboxamide;3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-[(2,3-dichloro-4-pyridinyl)sulfanyl]-5-methylpyrazine-2-carboxamide;2-(2,3-dichlorophenyl)sulfanyl-5-[(4,4-dimethylpiperidin-1-yl)methyl]-3-methylpyrazine;2-(3,4-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-3-methylpyrazine;(4R)-8-[5-(3,4-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;2-[(5,6-dichloro-3-pyridinyl)sulfanyl]-5-(4,4-dimethylpiperidin-1-yl)-3-methylpyrazine;(4R)-8-[5-[(5,6-dichloro-3-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane is Cc1nc(CN2CCC(C)(C)CC2)cnc1Sc1cccc(Cl)c1Cl.Cc1nc(N2CCC(C)(C)CC2)cnc1Sc1ccc(Cl)c(Cl)c1.Cc1nc(N2CCC(C)(C)CC2)cnc1Sc1cnc(Cl)c(Cl)c1.Cc1nc(N2CCC3(CCC[C@H]3C)CC2)cnc1Sc1ccc(Cl)c(Cl)c1.Cc1nc(N2CCC3(CCC[C@H]3C)CC2)cnc1Sc1cnc(Cl)c(Cl)c1.Cc1nc(N2CCC3(CCC[C@H]3N)CC2)c(C(N)=O)nc1Sc1cccc(Cl)c1Cl.Cc1nc(N2CCC3(CCC[C@H]3N)CC2)c(C(N)=O)nc1Sc1ccnc(Cl)c1Cl.

What is the InChIKey of 3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dichlorophenyl)sulfanyl-5-methylpyrazine-2-carboxamide;3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-[(2,3-dichloro-4-pyridinyl)sulfanyl]-5-methylpyrazine-2-carboxamide;2-(2,3-dichlorophenyl)sulfanyl-5-[(4,4-dimethylpiperidin-1-yl)methyl]-3-methylpyrazine;2-(3,4-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-3-methylpyrazine;(4R)-8-[5-(3,4-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;2-[(5,6-dichloro-3-pyridinyl)sulfanyl]-5-(4,4-dimethylpiperidin-1-yl)-3-methylpyrazine;(4R)-8-[5-[(5,6-dichloro-3-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane?

The InChIKey is GJIFZYGEZZGMER-GYDDCQKJSA-N. The full InChI is InChI=1S/C21H25Cl2N5OS.C21H25Cl2N3S.C20H24Cl2N6OS.C20H24Cl2N4S.C19H23Cl2N3S.C18H21Cl2N3S.C17H20Cl2N4S/c1-12-20(30-14-5-2-4-13(22)16(14)23)27-17(18(25)29)19(26-12)28-10-8-21(9-11-28)7-3-6-15(21)24;1-14-4-3-7-21(14)8-10-26(11-9-21)19-13-24-20(15(2)25-19)27-16-5-6-17(22)18(23)12-16;1-11-19(30-12-4-8-25-16(22)14(12)21)27-15(17(24)29)18(26-11)28-9-6-20(7-10-28)5-2-3-13(20)23;1-13-4-3-5-20(13)6-8-26(9-7-20)17-12-24-19(14(2)25-17)27-15-10-16(21)18(22)23-11-15;1-13-18(25-16-6-4-5-15(20)17(16)21)22-11-14(23-13)12-24-9-7-19(2,3)8-10-24;1-12-17(24-13-4-5-14(19)15(20)10-13)21-11-16(22-12)23-8-6-18(2,3)7-9-23;1-11-16(24-12-8-13(18)15(19)20-9-12)21-10-14(22-11)23-6-4-17(2,3)5-7-23/h2,4-5,15H,3,6-11,24H2,1H3,(H2,25,29);5-6,12-14H,3-4,7-11H2,1-2H3;4,8,13H,2-3,5-7,9-10,23H2,1H3,(H2,24,29);10-13H,3-9H2,1-2H3;4-6,11H,7-10,12H2,1-3H3;4-5,10-11H,6-9H2,1-3H3;8-10H,4-7H2,1-3H3/t15-;14-;2*13-;;;/m1111.../s1.

What are the key properties of 3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dichlorophenyl)sulfanyl-5-methylpyrazine-2-carboxamide;3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-[(2,3-dichloro-4-pyridinyl)sulfanyl]-5-methylpyrazine-2-carboxamide;2-(2,3-dichlorophenyl)sulfanyl-5-[(4,4-dimethylpiperidin-1-yl)methyl]-3-methylpyrazine;2-(3,4-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-3-methylpyrazine;(4R)-8-[5-(3,4-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;2-[(5,6-dichloro-3-pyridinyl)sulfanyl]-5-(4,4-dimethylpiperidin-1-yl)-3-methylpyrazine;(4R)-8-[5-[(5,6-dichloro-3-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane?

3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dichlorophenyl)sulfanyl-5-methylpyrazine-2-carboxamide;3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-[(2,3-dichloro-4-pyridinyl)sulfanyl]-5-methylpyrazine-2-carboxamide;2-(2,3-dichlorophenyl)sulfanyl-5-[(4,4-dimethylpiperidin-1-yl)methyl]-3-methylpyrazine;2-(3,4-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-3-methylpyrazine;(4R)-8-[5-(3,4-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;2-[(5,6-dichloro-3-pyridinyl)sulfanyl]-5-(4,4-dimethylpiperidin-1-yl)-3-methylpyrazine;(4R)-8-[5-[(5,6-dichloro-3-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane has a molecular weight of 2941.80 g/mol, XLogP of 37.97, 24 rotatable bonds, 4 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dichlorophenyl)sulfanyl-5-methylpyrazine-2-carboxamide;3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-[(2,3-dichloro-4-pyridinyl)sulfanyl]-5-methylpyrazine-2-carboxamide;2-(2,3-dichlorophenyl)sulfanyl-5-[(4,4-dimethylpiperidin-1-yl)methyl]-3-methylpyrazine;2-(3,4-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-3-methylpyrazine;(4R)-8-[5-(3,4-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;2-[(5,6-dichloro-3-pyridinyl)sulfanyl]-5-(4,4-dimethylpiperidin-1-yl)-3-methylpyrazine;(4R)-8-[5-[(5,6-dichloro-3-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane is sourced from PubChem (CID 158273488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).