(4R)-8-[6-amino-5-[(5-amino-2-chloro-3-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;(4S)-8-[6-amino-5-(3-chloropyridazin-4-yl)sulfanylpyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-1-imino-2,8-diazaspiro[4.5]decan-3-one;(2R,4R)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-4-(methylamino)-8-azaspiro[4.5]decan-2-ol

C89H109Cl3F6N34O4S5 — CID 158367929

About (4R)-8-[6-amino-5-[(5-amino-2-chloro-3-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;(4S)-8-[6-amino-5-(3-chloropyridazin-4-yl)sulfanylpyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-1-imino-2,8-diazaspiro[4.5]decan-3-one;(2R,4R)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-4-(methylamino)-8-azaspiro[4.5]decan-2-ol

(4R)-8-[6-amino-5-[(5-amino-2-chloro-3-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;(4S)-8-[6-amino-5-(3-chloropyridazin-4-yl)sulfanylpyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-1-imino-2,8-diazaspiro[4.5]decan-3-one;(2R,4R)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-4-(methylamino)-8-azaspiro[4.5]decan-2-ol (PubChem CID 158367929) has the molecular formula C89H109Cl3F6N34O4S5 and a molecular weight of 2099.77 g/mol. Its IUPAC name is (4R)-8-[6-amino-5-[(5-amino-2-chloro-3-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;(4S)-8-[6-amino-5-(3-chloropyridazin-4-yl)sulfanylpyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-1-imino-2,8-diazaspiro[4.5]decan-3-one;(2R,4R)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-4-(methylamino)-8-azaspiro[4.5]decan-2-ol.

Molecular Properties

• Compound Name: (4R)-8-[6-amino-5-[(5-amino-2-chloro-3-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;(4S)-8-[6-amino-5-(3-chloropyridazin-4-yl)sulfanylpyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-1-imino-2,8-diazaspiro[4.5]decan-3-one;(2R,4R)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-4-(methylamino)-8-azaspiro[4.5]decan-2-ol
• PubChem CID: 158367929
• Molecular Formula: C89H109Cl3F6N34O4S5
• Molecular Weight: 2099.77 g/mol
• Exact Mass: 2096.69
• IUPAC Name: (4R)-8-[6-amino-5-[(5-amino-2-chloro-3-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;(4S)-8-[6-amino-5-(3-chloropyridazin-4-yl)sulfanylpyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-1-imino-2,8-diazaspiro[4.5]decan-3-one;(2R,4R)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-4-(methylamino)-8-azaspiro[4.5]decan-2-ol
• SMILES: CN[C@@H]1C[C@H](O)CC12CCN(c1cnc(Sc3cccnc3C(F)(F)F)c(N)n1)CC2.Nc1cnc(Cl)c(Sc2ncc(N3CCC4(CCC[C@H]4N)CC3)nc2N)c1.Nc1nc(N2CCC3(CC2)COC[C@H]3N)cnc1Sc1ccnc(N)c1Cl.Nc1nc(N2CCC3(CC2)COC[C@H]3N)cnc1Sc1ccnnc1Cl.[H]/N=C1\NC(=O)CC12CCN(c1cnc(Sc3cccnc3C(F)(F)F)c(N)n1)CC2
• InChI: InChI=1S/C20H25F3N6OS.C18H24ClN7S.C18H18F3N7OS.C17H22ClN7OS.C16H20ClN7OS/c1-25-14-9-12(30)10-19(14)4-7-29(8-5-19)15-11-27-18(17(24)28-15)31-13-3-2-6-26-16(13)20(21,22)23;19-15-12(8-11(20)9-23-15)27-17-16(22)25-14(10-24-17)26-6-4-18(5-7-26)3-1-2-13(18)21;19-18(20,21)13-10(2-1-5-24-13)30-15-14(22)26-11(9-25-15)28-6-3-17(4-7-28)8-12(29)27-16(17)23;18-13-10(1-4-22-14(13)20)27-16-15(21)24-12(7-23-16)25-5-2-17(3-6-25)9-26-8-11(17)19;17-13-10(1-4-21-23-13)26-15-14(19)22-12(7-20-15)24-5-2-16(3-6-24)9-25-8-11(16)18/h2-3,6,11-12,14,25,30H,4-5,7-10H2,1H3,(H2,24,28);8-10,13H,1-7,20-21H2,(H2,22,25);1-2,5,9H,3-4,6-8H2,(H2,22,26)(H2,23,27,29);1,4,7,11H,2-3,5-6,8-9,19H2,(H2,20,22)(H2,21,24);1,4,7,11H,2-3,5-6,8-9,18H2,(H2,19,22)/t12-,14+;13-;;2*11-/m01.11/s1
• InChIKey: GUGKJYDPVCLLSY-YJYILUKKSA-N
• XLogP: 11.98
• TPSA: 586.31 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 42
• Rotatable Bonds: 16
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2099.77
LogP ≤ 5	11.98
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4R)-8-[6-amino-5-[(5-amino-2-chloro-3-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;(4S)-8-[6-amino-5-(3-chloropyridazin-4-yl)sulfanylpyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-1-imino-2,8-diazaspiro[4.5]decan-3-one;(2R,4R)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-4-(methylamino)-8-azaspiro[4.5]decan-2-ol?

The IUPAC name of (4R)-8-[6-amino-5-[(5-amino-2-chloro-3-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;(4S)-8-[6-amino-5-(3-chloropyridazin-4-yl)sulfanylpyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-1-imino-2,8-diazaspiro[4.5]decan-3-one;(2R,4R)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-4-(methylamino)-8-azaspiro[4.5]decan-2-ol (CID 158367929) is (4R)-8-[6-amino-5-[(5-amino-2-chloro-3-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;(4S)-8-[6-amino-5-(3-chloropyridazin-4-yl)sulfanylpyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-1-imino-2,8-diazaspiro[4.5]decan-3-one;(2R,4R)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-4-(methylamino)-8-azaspiro[4.5]decan-2-ol.

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

The canonical SMILES for (4R)-8-[6-amino-5-[(5-amino-2-chloro-3-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;(4S)-8-[6-amino-5-(3-chloropyridazin-4-yl)sulfanylpyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-1-imino-2,8-diazaspiro[4.5]decan-3-one;(2R,4R)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-4-(methylamino)-8-azaspiro[4.5]decan-2-ol is CN[C@@H]1C[C@H](O)CC12CCN(c1cnc(Sc3cccnc3C(F)(F)F)c(N)n1)CC2.Nc1cnc(Cl)c(Sc2ncc(N3CCC4(CCC[C@H]4N)CC3)nc2N)c1.Nc1nc(N2CCC3(CC2)COC[C@H]3N)cnc1Sc1ccnc(N)c1Cl.Nc1nc(N2CCC3(CC2)COC[C@H]3N)cnc1Sc1ccnnc1Cl.[H]/N=C1\NC(=O)CC12CCN(c1cnc(Sc3cccnc3C(F)(F)F)c(N)n1)CC2.

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

The InChIKey is GUGKJYDPVCLLSY-YJYILUKKSA-N. The full InChI is InChI=1S/C20H25F3N6OS.C18H24ClN7S.C18H18F3N7OS.C17H22ClN7OS.C16H20ClN7OS/c1-25-14-9-12(30)10-19(14)4-7-29(8-5-19)15-11-27-18(17(24)28-15)31-13-3-2-6-26-16(13)20(21,22)23;19-15-12(8-11(20)9-23-15)27-17-16(22)25-14(10-24-17)26-6-4-18(5-7-26)3-1-2-13(18)21;19-18(20,21)13-10(2-1-5-24-13)30-15-14(22)26-11(9-25-15)28-6-3-17(4-7-28)8-12(29)27-16(17)23;18-13-10(1-4-22-14(13)20)27-16-15(21)24-12(7-23-16)25-5-2-17(3-6-25)9-26-8-11(17)19;17-13-10(1-4-21-23-13)26-15-14(19)22-12(7-20-15)24-5-2-16(3-6-24)9-25-8-11(16)18/h2-3,6,11-12,14,25,30H,4-5,7-10H2,1H3,(H2,24,28);8-10,13H,1-7,20-21H2,(H2,22,25);1-2,5,9H,3-4,6-8H2,(H2,22,26)(H2,23,27,29);1,4,7,11H,2-3,5-6,8-9,19H2,(H2,20,22)(H2,21,24);1,4,7,11H,2-3,5-6,8-9,18H2,(H2,19,22)/t12-,14+;13-;;2*11-/m01.11/s1.

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

(4R)-8-[6-amino-5-[(5-amino-2-chloro-3-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;(4S)-8-[6-amino-5-(3-chloropyridazin-4-yl)sulfanylpyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-1-imino-2,8-diazaspiro[4.5]decan-3-one;(2R,4R)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-4-(methylamino)-8-azaspiro[4.5]decan-2-ol has a molecular weight of 2099.77 g/mol, XLogP of 11.98, 16 rotatable bonds, 14 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-8-[6-amino-5-[(5-amino-2-chloro-3-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;(4S)-8-[6-amino-5-(3-chloropyridazin-4-yl)sulfanylpyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-1-imino-2,8-diazaspiro[4.5]decan-3-one;(2R,4R)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-4-(methylamino)-8-azaspiro[4.5]decan-2-ol is sourced from PubChem (CID 158367929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).