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

C113H135Cl3F10N34O3S6 — CID 159797915

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

(2R,4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine;3-[(5-chloro-2-fluoro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(3-chloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]-3-[[3-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-amine;6-(2-methyl-1-oxa-3,8-diazaspiro[4.5]dec-2-en-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-(2-methyl-3-oxa-1,8-diazaspiro[4.5]dec-1-en-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine (PubChem CID 159797915) has the molecular formula C113H135Cl3F10N34O3S6 and a molecular weight of 2506.30 g/mol. Its IUPAC name is (2R,4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine;3-[(5-chloro-2-fluoro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(3-chloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]-3-[[3-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-amine;6-(2-methyl-1-oxa-3,8-diazaspiro[4.5]dec-2-en-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-(2-methyl-3-oxa-1,8-diazaspiro[4.5]dec-1-en-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine.

Molecular Properties

• Compound Name: (2R,4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine;3-[(5-chloro-2-fluoro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(3-chloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]-3-[[3-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-amine;6-(2-methyl-1-oxa-3,8-diazaspiro[4.5]dec-2-en-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-(2-methyl-3-oxa-1,8-diazaspiro[4.5]dec-1-en-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine
• PubChem CID: 159797915
• Molecular Formula: C113H135Cl3F10N34O3S6
• Molecular Weight: 2506.30 g/mol
• Exact Mass: 2502.87
• IUPAC Name: (2R,4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine;3-[(5-chloro-2-fluoro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(3-chloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]-3-[[3-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-amine;6-(2-methyl-1-oxa-3,8-diazaspiro[4.5]dec-2-en-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-(2-methyl-3-oxa-1,8-diazaspiro[4.5]dec-1-en-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine
• SMILES: CC1=NC2(CCN(c3cnc(Sc4cccnc4C(F)(F)F)c(N)n3)CC2)CO1.CC1=NCC2(CCN(c3cnc(Sc4cccnc4C(F)(F)F)c(N)n3)CC2)O1.CO[C@H]1C[C@@H](N)C2(CCN(c3cnc(Sc4ccnc(N)c4Cl)c(N)n3)CC2)C1.C[C@@H]1CCCC12CCN(c1cnc(Sc3cc(F)ncc3Cl)c(N)n1)CC2.C[C@@H]1CCCC12CCN(c1cnc(Sc3ccncc3C(F)(F)F)c(N)n1)CC2.C[C@@H]1CCCC12CCN(c1cnc(Sc3ccncc3Cl)c(N)n1)CC2
• InChI: InChI=1S/C20H24F3N5S.C19H23ClFN5S.C19H26ClN7OS.C19H24ClN5S.2C18H19F3N6OS/c1-13-3-2-5-19(13)6-9-28(10-7-19)16-12-26-18(17(24)27-16)29-15-4-8-25-11-14(15)20(21,22)23;1-12-3-2-4-19(12)5-7-26(8-6-19)16-11-24-18(17(22)25-16)27-14-9-15(21)23-10-13(14)20;1-28-11-8-13(21)19(9-11)3-6-27(7-4-19)14-10-25-18(17(23)26-14)29-12-2-5-24-16(22)15(12)20;1-13-3-2-5-19(13)6-9-25(10-7-19)16-12-23-18(17(21)24-16)26-15-4-8-22-11-14(15)20;1-11-26-17(10-28-11)4-7-27(8-5-17)13-9-24-16(15(22)25-13)29-12-3-2-6-23-14(12)18(19,20)21;1-11-25-10-17(28-11)4-7-27(8-5-17)13-9-24-16(15(22)26-13)29-12-3-2-6-23-14(12)18(19,20)21/h4,8,11-13H,2-3,5-7,9-10H2,1H3,(H2,24,27);9-12H,2-8H2,1H3,(H2,22,25);2,5,10-11,13H,3-4,6-9,21H2,1H3,(H2,22,24)(H2,23,26);4,8,11-13H,2-3,5-7,9-10H2,1H3,(H2,21,24);2-3,6,9H,4-5,7-8,10H2,1H3,(H2,22,25);2-3,6,9H,4-5,7-8,10H2,1H3,(H2,22,26)/t13-;12-;11-,13+;13-;;/m1101../s1
• InChIKey: NJKGRXHGLVTUGB-QHRTYBNTSA-N
• XLogP: 23.89
• TPSA: 512.03 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 43
• Rotatable Bonds: 19
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2506.30
LogP ≤ 5	23.89
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine;3-[(5-chloro-2-fluoro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(3-chloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]-3-[[3-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-amine;6-(2-methyl-1-oxa-3,8-diazaspiro[4.5]dec-2-en-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-(2-methyl-3-oxa-1,8-diazaspiro[4.5]dec-1-en-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine?

The IUPAC name of (2R,4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine;3-[(5-chloro-2-fluoro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(3-chloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]-3-[[3-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-amine;6-(2-methyl-1-oxa-3,8-diazaspiro[4.5]dec-2-en-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-(2-methyl-3-oxa-1,8-diazaspiro[4.5]dec-1-en-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine (CID 159797915) is (2R,4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine;3-[(5-chloro-2-fluoro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(3-chloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]-3-[[3-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-amine;6-(2-methyl-1-oxa-3,8-diazaspiro[4.5]dec-2-en-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-(2-methyl-3-oxa-1,8-diazaspiro[4.5]dec-1-en-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine.

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

The canonical SMILES for (2R,4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine;3-[(5-chloro-2-fluoro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(3-chloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]-3-[[3-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-amine;6-(2-methyl-1-oxa-3,8-diazaspiro[4.5]dec-2-en-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-(2-methyl-3-oxa-1,8-diazaspiro[4.5]dec-1-en-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine is CC1=NC2(CCN(c3cnc(Sc4cccnc4C(F)(F)F)c(N)n3)CC2)CO1.CC1=NCC2(CCN(c3cnc(Sc4cccnc4C(F)(F)F)c(N)n3)CC2)O1.CO[C@H]1C[C@@H](N)C2(CCN(c3cnc(Sc4ccnc(N)c4Cl)c(N)n3)CC2)C1.C[C@@H]1CCCC12CCN(c1cnc(Sc3cc(F)ncc3Cl)c(N)n1)CC2.C[C@@H]1CCCC12CCN(c1cnc(Sc3ccncc3C(F)(F)F)c(N)n1)CC2.C[C@@H]1CCCC12CCN(c1cnc(Sc3ccncc3Cl)c(N)n1)CC2.

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

The InChIKey is NJKGRXHGLVTUGB-QHRTYBNTSA-N. The full InChI is InChI=1S/C20H24F3N5S.C19H23ClFN5S.C19H26ClN7OS.C19H24ClN5S.2C18H19F3N6OS/c1-13-3-2-5-19(13)6-9-28(10-7-19)16-12-26-18(17(24)27-16)29-15-4-8-25-11-14(15)20(21,22)23;1-12-3-2-4-19(12)5-7-26(8-6-19)16-11-24-18(17(22)25-16)27-14-9-15(21)23-10-13(14)20;1-28-11-8-13(21)19(9-11)3-6-27(7-4-19)14-10-25-18(17(23)26-14)29-12-2-5-24-16(22)15(12)20;1-13-3-2-5-19(13)6-9-25(10-7-19)16-12-23-18(17(21)24-16)26-15-4-8-22-11-14(15)20;1-11-26-17(10-28-11)4-7-27(8-5-17)13-9-24-16(15(22)25-13)29-12-3-2-6-23-14(12)18(19,20)21;1-11-25-10-17(28-11)4-7-27(8-5-17)13-9-24-16(15(22)26-13)29-12-3-2-6-23-14(12)18(19,20)21/h4,8,11-13H,2-3,5-7,9-10H2,1H3,(H2,24,27);9-12H,2-8H2,1H3,(H2,22,25);2,5,10-11,13H,3-4,6-9,21H2,1H3,(H2,22,24)(H2,23,26);4,8,11-13H,2-3,5-7,9-10H2,1H3,(H2,21,24);2-3,6,9H,4-5,7-8,10H2,1H3,(H2,22,25);2-3,6,9H,4-5,7-8,10H2,1H3,(H2,22,26)/t13-;12-;11-,13+;13-;;/m1101../s1.

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

(2R,4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine;3-[(5-chloro-2-fluoro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(3-chloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]-3-[[3-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-amine;6-(2-methyl-1-oxa-3,8-diazaspiro[4.5]dec-2-en-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-(2-methyl-3-oxa-1,8-diazaspiro[4.5]dec-1-en-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine has a molecular weight of 2506.30 g/mol, XLogP of 23.89, 19 rotatable bonds, 8 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine;3-[(5-chloro-2-fluoro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(3-chloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]-3-[[3-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-amine;6-(2-methyl-1-oxa-3,8-diazaspiro[4.5]dec-2-en-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-(2-methyl-3-oxa-1,8-diazaspiro[4.5]dec-1-en-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine is sourced from PubChem (CID 159797915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).