(4R)-8-[6-amino-5-[[3-chloro-2-(dimethylamino)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[6-amino-5-(3-chloropyridazin-4-yl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[6-amino-5-[(3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-amine;8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-amine;8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-amine

C105H126Cl5F6N41O3S6 — CID 158355397

About (4R)-8-[6-amino-5-[[3-chloro-2-(dimethylamino)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[6-amino-5-(3-chloropyridazin-4-yl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[6-amino-5-[(3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-amine;8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-amine;8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-amine

(4R)-8-[6-amino-5-[[3-chloro-2-(dimethylamino)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[6-amino-5-(3-chloropyridazin-4-yl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[6-amino-5-[(3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-amine;8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-amine;8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-amine (PubChem CID 158355397) has the molecular formula C105H126Cl5F6N41O3S6 and a molecular weight of 2494.10 g/mol. Its IUPAC name is (4R)-8-[6-amino-5-[[3-chloro-2-(dimethylamino)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[6-amino-5-(3-chloropyridazin-4-yl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[6-amino-5-[(3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-amine;8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-amine;8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-amine.

Molecular Properties

• Compound Name: (4R)-8-[6-amino-5-[[3-chloro-2-(dimethylamino)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[6-amino-5-(3-chloropyridazin-4-yl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[6-amino-5-[(3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-amine;8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-amine;8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-amine
• PubChem CID: 158355397
• Molecular Formula: C105H126Cl5F6N41O3S6
• Molecular Weight: 2494.10 g/mol
• Exact Mass: 2489.76
• IUPAC Name: (4R)-8-[6-amino-5-[[3-chloro-2-(dimethylamino)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[6-amino-5-(3-chloropyridazin-4-yl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[6-amino-5-[(3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-amine;8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-amine;8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-amine
• SMILES: CN(C)c1nccc(Sc2ncc(N3CCC4(CCC[C@H]4N)CC3)nc2N)c1Cl.NC1=NC2(CCN(c3cnc(Sc4cccnc4C(F)(F)F)c(N)n3)CC2)CO1.NC1=NC2(CCN(c3cnc(Sc4ccnc(Cl)c4Cl)c(N)n3)CC2)CO1.NC1=NCC2(CCN(c3cnc(Sc4cccnc4C(F)(F)F)c(N)n3)CC2)O1.Nc1nc(N2CCC3(CCC[C@H]3N)CC2)cnc1Sc1ccncc1Cl.Nc1nc(N2CCC3(CCC[C@H]3N)CC2)cnc1Sc1ccnnc1Cl
• InChI: InChI=1S/C20H28ClN7S.C18H23ClN6S.C17H22ClN7S.2C17H18F3N7OS.C16H17Cl2N7OS/c1-27(2)18-16(21)13(5-9-24-18)29-19-17(23)26-15(12-25-19)28-10-7-20(8-11-28)6-3-4-14(20)22;19-12-10-22-7-3-13(12)26-17-16(21)24-15(11-23-17)25-8-5-18(6-9-25)4-1-2-14(18)20;18-14-11(3-7-22-24-14)26-16-15(20)23-13(10-21-16)25-8-5-17(6-9-25)4-1-2-12(17)19;18-17(19,20)12-10(2-1-5-23-12)29-14-13(21)25-11(8-24-14)27-6-3-16(4-7-27)9-28-15(22)26-16;18-17(19,20)12-10(2-1-5-23-12)29-14-13(21)26-11(8-24-14)27-6-3-16(4-7-27)9-25-15(22)28-16;17-11-9(1-4-21-12(11)18)27-14-13(19)23-10(7-22-14)25-5-2-16(3-6-25)8-26-15(20)24-16/h5,9,12,14H,3-4,6-8,10-11,22H2,1-2H3,(H2,23,26);3,7,10-11,14H,1-2,4-6,8-9,20H2,(H2,21,24);3,7,10,12H,1-2,4-6,8-9,19H2,(H2,20,23);1-2,5,8H,3-4,6-7,9H2,(H2,21,25)(H2,22,26);1-2,5,8H,3-4,6-7,9H2,(H2,21,26)(H2,22,25);1,4,7H,2-3,5-6,8H2,(H2,19,23)(H2,20,24)/t2*14-;12-;;;/m111.../s1
• InChIKey: GSUSDUPSFRPHKB-NCVRBOLTSA-N
• XLogP: 16.74
• TPSA: 644.60 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 50
• Rotatable Bonds: 19
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2494.10
LogP ≤ 5	16.74
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	50

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-amino-5-[[3-chloro-2-(dimethylamino)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[6-amino-5-(3-chloropyridazin-4-yl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[6-amino-5-[(3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-amine;8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-amine;8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-amine?

The IUPAC name of (4R)-8-[6-amino-5-[[3-chloro-2-(dimethylamino)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[6-amino-5-(3-chloropyridazin-4-yl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[6-amino-5-[(3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-amine;8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-amine;8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-amine (CID 158355397) is (4R)-8-[6-amino-5-[[3-chloro-2-(dimethylamino)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[6-amino-5-(3-chloropyridazin-4-yl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[6-amino-5-[(3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-amine;8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-amine;8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-amine.

What is the SMILES notation for (4R)-8-[6-amino-5-[[3-chloro-2-(dimethylamino)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[6-amino-5-(3-chloropyridazin-4-yl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[6-amino-5-[(3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-amine;8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-amine;8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-amine?

The canonical SMILES for (4R)-8-[6-amino-5-[[3-chloro-2-(dimethylamino)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[6-amino-5-(3-chloropyridazin-4-yl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[6-amino-5-[(3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-amine;8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-amine;8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-amine is CN(C)c1nccc(Sc2ncc(N3CCC4(CCC[C@H]4N)CC3)nc2N)c1Cl.NC1=NC2(CCN(c3cnc(Sc4cccnc4C(F)(F)F)c(N)n3)CC2)CO1.NC1=NC2(CCN(c3cnc(Sc4ccnc(Cl)c4Cl)c(N)n3)CC2)CO1.NC1=NCC2(CCN(c3cnc(Sc4cccnc4C(F)(F)F)c(N)n3)CC2)O1.Nc1nc(N2CCC3(CCC[C@H]3N)CC2)cnc1Sc1ccncc1Cl.Nc1nc(N2CCC3(CCC[C@H]3N)CC2)cnc1Sc1ccnnc1Cl.

What is the InChIKey of (4R)-8-[6-amino-5-[[3-chloro-2-(dimethylamino)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[6-amino-5-(3-chloropyridazin-4-yl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[6-amino-5-[(3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-amine;8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-amine;8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-amine?

The InChIKey is GSUSDUPSFRPHKB-NCVRBOLTSA-N. The full InChI is InChI=1S/C20H28ClN7S.C18H23ClN6S.C17H22ClN7S.2C17H18F3N7OS.C16H17Cl2N7OS/c1-27(2)18-16(21)13(5-9-24-18)29-19-17(23)26-15(12-25-19)28-10-7-20(8-11-28)6-3-4-14(20)22;19-12-10-22-7-3-13(12)26-17-16(21)24-15(11-23-17)25-8-5-18(6-9-25)4-1-2-14(18)20;18-14-11(3-7-22-24-14)26-16-15(20)23-13(10-21-16)25-8-5-17(6-9-25)4-1-2-12(17)19;18-17(19,20)12-10(2-1-5-23-12)29-14-13(21)25-11(8-24-14)27-6-3-16(4-7-27)9-28-15(22)26-16;18-17(19,20)12-10(2-1-5-23-12)29-14-13(21)26-11(8-24-14)27-6-3-16(4-7-27)9-25-15(22)28-16;17-11-9(1-4-21-12(11)18)27-14-13(19)23-10(7-22-14)25-5-2-16(3-6-25)8-26-15(20)24-16/h5,9,12,14H,3-4,6-8,10-11,22H2,1-2H3,(H2,23,26);3,7,10-11,14H,1-2,4-6,8-9,20H2,(H2,21,24);3,7,10,12H,1-2,4-6,8-9,19H2,(H2,20,23);1-2,5,8H,3-4,6-7,9H2,(H2,21,25)(H2,22,26);1-2,5,8H,3-4,6-7,9H2,(H2,21,26)(H2,22,25);1,4,7H,2-3,5-6,8H2,(H2,19,23)(H2,20,24)/t2*14-;12-;;;/m111.../s1.

What are the key properties of (4R)-8-[6-amino-5-[[3-chloro-2-(dimethylamino)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[6-amino-5-(3-chloropyridazin-4-yl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[6-amino-5-[(3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-amine;8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-amine;8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-amine?

(4R)-8-[6-amino-5-[[3-chloro-2-(dimethylamino)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[6-amino-5-(3-chloropyridazin-4-yl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[6-amino-5-[(3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-amine;8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-amine;8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-amine has a molecular weight of 2494.10 g/mol, XLogP of 16.74, 19 rotatable bonds, 12 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-8-[6-amino-5-[[3-chloro-2-(dimethylamino)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[6-amino-5-(3-chloropyridazin-4-yl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[6-amino-5-[(3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-amine;8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-amine;8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-amine is sourced from PubChem (CID 158355397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).