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;5-cyclohexyl-2-(2,3-dichlorophenyl)sulfanyl-3-methylpyrazine;2-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)-3-methylpyrazine;(4R)-8-[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;2-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylcyclohexyl)-3-methylpyrazine;2-[(2,3-dichloro-4-pyridinyl)sulfanyl]-3-methyl-5-propyl-7,8-dihydro-6H-pyrazino[2,3-e][1,4]diazepin-9-one

C132H152Cl14N26O3S5 — CID 158904913

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;5-cyclohexyl-2-(2,3-dichlorophenyl)sulfanyl-3-methylpyrazine;2-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)-3-methylpyrazine;(4R)-8-[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;2-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylcyclohexyl)-3-methylpyrazine;2-[(2,3-dichloro-4-pyridinyl)sulfanyl]-3-methyl-5-propyl-7,8-dihydro-6H-pyrazino[2,3-e][1,4]diazepin-9-one

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;5-cyclohexyl-2-(2,3-dichlorophenyl)sulfanyl-3-methylpyrazine;2-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)-3-methylpyrazine;(4R)-8-[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;2-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylcyclohexyl)-3-methylpyrazine;2-[(2,3-dichloro-4-pyridinyl)sulfanyl]-3-methyl-5-propyl-7,8-dihydro-6H-pyrazino[2,3-e][1,4]diazepin-9-one (PubChem CID 158904913) has the molecular formula C132H152Cl14N26O3S5 and a molecular weight of 2807.52 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;5-cyclohexyl-2-(2,3-dichlorophenyl)sulfanyl-3-methylpyrazine;2-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)-3-methylpyrazine;(4R)-8-[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;2-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylcyclohexyl)-3-methylpyrazine;2-[(2,3-dichloro-4-pyridinyl)sulfanyl]-3-methyl-5-propyl-7,8-dihydro-6H-pyrazino[2,3-e][1,4]diazepin-9-one.

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;5-cyclohexyl-2-(2,3-dichlorophenyl)sulfanyl-3-methylpyrazine;2-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)-3-methylpyrazine;(4R)-8-[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;2-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylcyclohexyl)-3-methylpyrazine;2-[(2,3-dichloro-4-pyridinyl)sulfanyl]-3-methyl-5-propyl-7,8-dihydro-6H-pyrazino[2,3-e][1,4]diazepin-9-one
• PubChem CID: 158904913
• Molecular Formula: C132H152Cl14N26O3S5
• Molecular Weight: 2807.52 g/mol
• Exact Mass: 2798.68
• 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;5-cyclohexyl-2-(2,3-dichlorophenyl)sulfanyl-3-methylpyrazine;2-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)-3-methylpyrazine;(4R)-8-[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;2-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylcyclohexyl)-3-methylpyrazine;2-[(2,3-dichloro-4-pyridinyl)sulfanyl]-3-methyl-5-propyl-7,8-dihydro-6H-pyrazino[2,3-e][1,4]diazepin-9-one
• SMILES: CCCN1CCNC(=O)c2nc(Sc3ccnc(Cl)c3Cl)c(C)nc21.Cc1nc(C2CCC(C)(C)CC2)cnc1Sc1cccc(Cl)c1Cl.Cc1nc(C2CCCCC2)cnc1Sc1cccc(Cl)c1Cl.Cc1nc(N2CCC(C)(C)CC2)cnc1-c1cccc(Cl)c1Cl.Cc1nc(N2CCC3(CCC[C@H]3C)CC2)cnc1-c1cccc(Cl)c1Cl.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.C21H25Cl2N3.C20H24Cl2N6OS.C19H22Cl2N2S.C18H21Cl2N3.C17H18Cl2N2S.C16H17Cl2N5OS/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;1-14-5-4-8-21(14)9-11-26(12-10-21)18-13-24-20(15(2)25-18)16-6-3-7-17(22)19(16)23;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;1-12-18(24-16-6-4-5-14(20)17(16)21)22-11-15(23-12)13-7-9-19(2,3)10-8-13;1-12-17(13-5-4-6-14(19)16(13)20)21-11-15(22-12)23-9-7-18(2,3)8-10-23;1-11-17(22-15-9-5-8-13(18)16(15)19)20-10-14(21-11)12-6-3-2-4-7-12;1-3-7-23-8-6-20-15(24)12-14(23)21-9(2)16(22-12)25-10-4-5-19-13(18)11(10)17/h2,4-5,15H,3,6-11,24H2,1H3,(H2,25,29);3,6-7,13-14H,4-5,8-12H2,1-2H3;4,8,13H,2-3,5-7,9-10,23H2,1H3,(H2,24,29);4-6,11,13H,7-10H2,1-3H3;4-6,11H,7-10H2,1-3H3;5,8-10,12H,2-4,6-7H2,1H3;4-5H,3,6-8H2,1-2H3,(H,20,24)/t15-;14-;13-;;;;/m111..../s1
• InChIKey: JFXQIKXNDOGHCC-ZGWRVJDNSA-N
• XLogP: 36.64
• TPSA: 389.76 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 31
• Rotatable Bonds: 22
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2807.52
LogP ≤ 5	36.64
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	31

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;5-cyclohexyl-2-(2,3-dichlorophenyl)sulfanyl-3-methylpyrazine;2-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)-3-methylpyrazine;(4R)-8-[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;2-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylcyclohexyl)-3-methylpyrazine;2-[(2,3-dichloro-4-pyridinyl)sulfanyl]-3-methyl-5-propyl-7,8-dihydro-6H-pyrazino[2,3-e][1,4]diazepin-9-one?

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;5-cyclohexyl-2-(2,3-dichlorophenyl)sulfanyl-3-methylpyrazine;2-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)-3-methylpyrazine;(4R)-8-[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;2-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylcyclohexyl)-3-methylpyrazine;2-[(2,3-dichloro-4-pyridinyl)sulfanyl]-3-methyl-5-propyl-7,8-dihydro-6H-pyrazino[2,3-e][1,4]diazepin-9-one (CID 158904913) 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;5-cyclohexyl-2-(2,3-dichlorophenyl)sulfanyl-3-methylpyrazine;2-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)-3-methylpyrazine;(4R)-8-[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;2-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylcyclohexyl)-3-methylpyrazine;2-[(2,3-dichloro-4-pyridinyl)sulfanyl]-3-methyl-5-propyl-7,8-dihydro-6H-pyrazino[2,3-e][1,4]diazepin-9-one.

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;5-cyclohexyl-2-(2,3-dichlorophenyl)sulfanyl-3-methylpyrazine;2-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)-3-methylpyrazine;(4R)-8-[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;2-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylcyclohexyl)-3-methylpyrazine;2-[(2,3-dichloro-4-pyridinyl)sulfanyl]-3-methyl-5-propyl-7,8-dihydro-6H-pyrazino[2,3-e][1,4]diazepin-9-one?

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;5-cyclohexyl-2-(2,3-dichlorophenyl)sulfanyl-3-methylpyrazine;2-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)-3-methylpyrazine;(4R)-8-[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;2-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylcyclohexyl)-3-methylpyrazine;2-[(2,3-dichloro-4-pyridinyl)sulfanyl]-3-methyl-5-propyl-7,8-dihydro-6H-pyrazino[2,3-e][1,4]diazepin-9-one is CCCN1CCNC(=O)c2nc(Sc3ccnc(Cl)c3Cl)c(C)nc21.Cc1nc(C2CCC(C)(C)CC2)cnc1Sc1cccc(Cl)c1Cl.Cc1nc(C2CCCCC2)cnc1Sc1cccc(Cl)c1Cl.Cc1nc(N2CCC(C)(C)CC2)cnc1-c1cccc(Cl)c1Cl.Cc1nc(N2CCC3(CCC[C@H]3C)CC2)cnc1-c1cccc(Cl)c1Cl.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;5-cyclohexyl-2-(2,3-dichlorophenyl)sulfanyl-3-methylpyrazine;2-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)-3-methylpyrazine;(4R)-8-[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;2-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylcyclohexyl)-3-methylpyrazine;2-[(2,3-dichloro-4-pyridinyl)sulfanyl]-3-methyl-5-propyl-7,8-dihydro-6H-pyrazino[2,3-e][1,4]diazepin-9-one?

The InChIKey is JFXQIKXNDOGHCC-ZGWRVJDNSA-N. The full InChI is InChI=1S/C21H25Cl2N5OS.C21H25Cl2N3.C20H24Cl2N6OS.C19H22Cl2N2S.C18H21Cl2N3.C17H18Cl2N2S.C16H17Cl2N5OS/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;1-14-5-4-8-21(14)9-11-26(12-10-21)18-13-24-20(15(2)25-18)16-6-3-7-17(22)19(16)23;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;1-12-18(24-16-6-4-5-14(20)17(16)21)22-11-15(23-12)13-7-9-19(2,3)10-8-13;1-12-17(13-5-4-6-14(19)16(13)20)21-11-15(22-12)23-9-7-18(2,3)8-10-23;1-11-17(22-15-9-5-8-13(18)16(15)19)20-10-14(21-11)12-6-3-2-4-7-12;1-3-7-23-8-6-20-15(24)12-14(23)21-9(2)16(22-12)25-10-4-5-19-13(18)11(10)17/h2,4-5,15H,3,6-11,24H2,1H3,(H2,25,29);3,6-7,13-14H,4-5,8-12H2,1-2H3;4,8,13H,2-3,5-7,9-10,23H2,1H3,(H2,24,29);4-6,11,13H,7-10H2,1-3H3;4-6,11H,7-10H2,1-3H3;5,8-10,12H,2-4,6-7H2,1H3;4-5H,3,6-8H2,1-2H3,(H,20,24)/t15-;14-;13-;;;;/m111..../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;5-cyclohexyl-2-(2,3-dichlorophenyl)sulfanyl-3-methylpyrazine;2-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)-3-methylpyrazine;(4R)-8-[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;2-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylcyclohexyl)-3-methylpyrazine;2-[(2,3-dichloro-4-pyridinyl)sulfanyl]-3-methyl-5-propyl-7,8-dihydro-6H-pyrazino[2,3-e][1,4]diazepin-9-one?

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;5-cyclohexyl-2-(2,3-dichlorophenyl)sulfanyl-3-methylpyrazine;2-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)-3-methylpyrazine;(4R)-8-[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;2-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylcyclohexyl)-3-methylpyrazine;2-[(2,3-dichloro-4-pyridinyl)sulfanyl]-3-methyl-5-propyl-7,8-dihydro-6H-pyrazino[2,3-e][1,4]diazepin-9-one has a molecular weight of 2807.52 g/mol, XLogP of 36.64, 22 rotatable bonds, 5 hydrogen bond donors, and 31 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;5-cyclohexyl-2-(2,3-dichlorophenyl)sulfanyl-3-methylpyrazine;2-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)-3-methylpyrazine;(4R)-8-[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;2-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylcyclohexyl)-3-methylpyrazine;2-[(2,3-dichloro-4-pyridinyl)sulfanyl]-3-methyl-5-propyl-7,8-dihydro-6H-pyrazino[2,3-e][1,4]diazepin-9-one is sourced from PubChem (CID 158904913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).