(3R,4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(2R,4R)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(2S,4R)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]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

C94H121Cl4F3N32O3S5 — CID 163571380

About (3R,4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(2R,4R)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(2S,4R)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]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

(3R,4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(2R,4R)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(2S,4R)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]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 (PubChem CID 163571380) has the molecular formula C94H121Cl4F3N32O3S5 and a molecular weight of 2106.36 g/mol. Its IUPAC name is (3R,4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(2R,4R)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(2S,4R)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]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.

Molecular Properties

• Compound Name: (3R,4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(2R,4R)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(2S,4R)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]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
• PubChem CID: 163571380
• Molecular Formula: C94H121Cl4F3N32O3S5
• Molecular Weight: 2106.36 g/mol
• Exact Mass: 2102.76
• IUPAC Name: (3R,4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(2R,4R)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(2S,4R)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]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
• SMILES: CC1=NCC2(CCN(c3cnc(Sc4cccnc4C(F)(F)F)c(N)n3)CC2)O1.C[C@@H]1C[C@@H](C)C2(CCN(c3cnc(Sc4ccnc(N)c4Cl)c(N)n3)CC2)C1.C[C@@H]1OCC2(CCN(c3cnc(Sc4ccnc(N)c4Cl)c(N)n3)CC2)[C@@H]1N.C[C@H]1C[C@@H](C)C2(CCN(c3cnc(Sc4ccnc(N)c4Cl)c(N)n3)CC2)C1.C[C@H]1OCC2(CCN(c3cnc(Sc4ccnc(N)c4Cl)c(N)n3)CC2)[C@@H]1N
• InChI: InChI=1S/2C20H27ClN6S.2C18H24ClN7OS.C18H19F3N6OS/c2*1-12-9-13(2)20(10-12)4-7-27(8-5-20)15-11-25-19(18(23)26-15)28-14-3-6-24-17(22)16(14)21;2*1-10-14(20)18(9-27-10)3-6-26(7-4-18)12-8-24-17(16(22)25-12)28-11-2-5-23-15(21)13(11)19;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/h2*3,6,11-13H,4-5,7-10H2,1-2H3,(H2,22,24)(H2,23,26);2*2,5,8,10,14H,3-4,6-7,9,20H2,1H3,(H2,21,23)(H2,22,25);2-3,6,9H,4-5,7-8,10H2,1H3,(H2,22,26)/t12-,13+;12-,13-;10-,14+;10-,14-;/m0101./s1
• InChIKey: FZPVSYFYNHGOJG-XFAVDCCOSA-N
• XLogP: 16.74
• TPSA: 535.82 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 40
• Rotatable Bonds: 15
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2106.36
LogP ≤ 5	16.74
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(2R,4R)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(2S,4R)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]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?

The IUPAC name of (3R,4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(2R,4R)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(2S,4R)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]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 (CID 163571380) is (3R,4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(2R,4R)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(2S,4R)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]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.

What is the SMILES notation for (3R,4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(2R,4R)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(2S,4R)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]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?

The canonical SMILES for (3R,4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(2R,4R)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(2S,4R)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]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 is CC1=NCC2(CCN(c3cnc(Sc4cccnc4C(F)(F)F)c(N)n3)CC2)O1.C[C@@H]1C[C@@H](C)C2(CCN(c3cnc(Sc4ccnc(N)c4Cl)c(N)n3)CC2)C1.C[C@@H]1OCC2(CCN(c3cnc(Sc4ccnc(N)c4Cl)c(N)n3)CC2)[C@@H]1N.C[C@H]1C[C@@H](C)C2(CCN(c3cnc(Sc4ccnc(N)c4Cl)c(N)n3)CC2)C1.C[C@H]1OCC2(CCN(c3cnc(Sc4ccnc(N)c4Cl)c(N)n3)CC2)[C@@H]1N.

What is the InChIKey of (3R,4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(2R,4R)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(2S,4R)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]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?

The InChIKey is FZPVSYFYNHGOJG-XFAVDCCOSA-N. The full InChI is InChI=1S/2C20H27ClN6S.2C18H24ClN7OS.C18H19F3N6OS/c2*1-12-9-13(2)20(10-12)4-7-27(8-5-20)15-11-25-19(18(23)26-15)28-14-3-6-24-17(22)16(14)21;2*1-10-14(20)18(9-27-10)3-6-26(7-4-18)12-8-24-17(16(22)25-12)28-11-2-5-23-15(21)13(11)19;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/h2*3,6,11-13H,4-5,7-10H2,1-2H3,(H2,22,24)(H2,23,26);2*2,5,8,10,14H,3-4,6-7,9,20H2,1H3,(H2,21,23)(H2,22,25);2-3,6,9H,4-5,7-8,10H2,1H3,(H2,22,26)/t12-,13+;12-,13-;10-,14+;10-,14-;/m0101./s1.

What are the key properties of (3R,4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(2R,4R)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(2S,4R)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]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?

(3R,4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(2R,4R)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(2S,4R)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]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 has a molecular weight of 2106.36 g/mol, XLogP of 16.74, 15 rotatable bonds, 11 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(2R,4R)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(2S,4R)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]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 is sourced from PubChem (CID 163571380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).