(2R,4R)-4-amino-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(2R,4S)-4-amino-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(2S,4R)-4-amino-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(2R,4R)-4-amino-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(4R)-8-[5-amino-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-1,2,4-triazin-3-yl]-8-azaspiro[4.5]decan-4-amine

C93H115ClF12N32O4S5 — CID 159293964

About (2R,4R)-4-amino-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(2R,4S)-4-amino-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(2S,4R)-4-amino-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(2R,4R)-4-amino-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(4R)-8-[5-amino-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-1,2,4-triazin-3-yl]-8-azaspiro[4.5]decan-4-amine

(2R,4R)-4-amino-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(2R,4S)-4-amino-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(2S,4R)-4-amino-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(2R,4R)-4-amino-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(4R)-8-[5-amino-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-1,2,4-triazin-3-yl]-8-azaspiro[4.5]decan-4-amine (PubChem CID 159293964) has the molecular formula C93H115ClF12N32O4S5 and a molecular weight of 2168.93 g/mol. Its IUPAC name is (2R,4R)-4-amino-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(2R,4S)-4-amino-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(2S,4R)-4-amino-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(2R,4R)-4-amino-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(4R)-8-[5-amino-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-1,2,4-triazin-3-yl]-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

• Compound Name: (2R,4R)-4-amino-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(2R,4S)-4-amino-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(2S,4R)-4-amino-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(2R,4R)-4-amino-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(4R)-8-[5-amino-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-1,2,4-triazin-3-yl]-8-azaspiro[4.5]decan-4-amine
• PubChem CID: 159293964
• Molecular Formula: C93H115ClF12N32O4S5
• Molecular Weight: 2168.93 g/mol
• Exact Mass: 2166.79
• IUPAC Name: (2R,4R)-4-amino-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(2R,4S)-4-amino-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(2S,4R)-4-amino-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(2R,4R)-4-amino-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(4R)-8-[5-amino-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-1,2,4-triazin-3-yl]-8-azaspiro[4.5]decan-4-amine
• SMILES: Nc1nc(N2CCC3(CC2)C[C@@H](O)C[C@@H]3N)cnc1Sc1cccnc1C(F)(F)F.Nc1nc(N2CCC3(CC2)C[C@@H](O)C[C@H]3N)cnc1Sc1cccnc1C(F)(F)F.Nc1nc(N2CCC3(CC2)C[C@@H](O)C[C@H]3N)cnc1Sc1ccnc(N)c1Cl.Nc1nc(N2CCC3(CC2)C[C@H](O)C[C@H]3N)cnc1Sc1cccnc1C(F)(F)F.Nc1nc(N2CCC3(CCC[C@H]3N)CC2)nnc1Sc1cccnc1C(F)(F)F
• InChI: InChI=1S/3C19H23F3N6OS.C18H24ClN7OS.C18H22F3N7S/c3*20-19(21,22)15-12(2-1-5-25-15)30-17-16(24)27-14(10-26-17)28-6-3-18(4-7-28)9-11(29)8-13(18)23;19-14-11(1-4-23-15(14)21)28-17-16(22)25-13(9-24-17)26-5-2-18(3-6-26)8-10(27)7-12(18)20;19-18(20,21)13-11(3-2-8-24-13)29-15-14(23)25-16(27-26-15)28-9-6-17(7-10-28)5-1-4-12(17)22/h3*1-2,5,10-11,13,29H,3-4,6-9,23H2,(H2,24,27);1,4,9-10,12,27H,2-3,5-8,20H2,(H2,21,23)(H2,22,25);2-3,8,12H,1,4-7,9-10,22H2,(H2,23,25,27)/t11-,13+;2*11-,13-;10-,12+;12-/m01001/s1
• InChIKey: LAMCNMRRUTWZOK-HMHQXJSSSA-N
• XLogP: 13.10
• TPSA: 589.58 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 41
• Rotatable Bonds: 15
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2168.93
LogP ≤ 5	13.10
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

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

The IUPAC name of (2R,4R)-4-amino-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(2R,4S)-4-amino-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(2S,4R)-4-amino-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(2R,4R)-4-amino-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(4R)-8-[5-amino-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-1,2,4-triazin-3-yl]-8-azaspiro[4.5]decan-4-amine (CID 159293964) is (2R,4R)-4-amino-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(2R,4S)-4-amino-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(2S,4R)-4-amino-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(2R,4R)-4-amino-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(4R)-8-[5-amino-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-1,2,4-triazin-3-yl]-8-azaspiro[4.5]decan-4-amine.

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

The canonical SMILES for (2R,4R)-4-amino-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(2R,4S)-4-amino-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(2S,4R)-4-amino-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(2R,4R)-4-amino-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(4R)-8-[5-amino-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-1,2,4-triazin-3-yl]-8-azaspiro[4.5]decan-4-amine is Nc1nc(N2CCC3(CC2)C[C@@H](O)C[C@@H]3N)cnc1Sc1cccnc1C(F)(F)F.Nc1nc(N2CCC3(CC2)C[C@@H](O)C[C@H]3N)cnc1Sc1cccnc1C(F)(F)F.Nc1nc(N2CCC3(CC2)C[C@@H](O)C[C@H]3N)cnc1Sc1ccnc(N)c1Cl.Nc1nc(N2CCC3(CC2)C[C@H](O)C[C@H]3N)cnc1Sc1cccnc1C(F)(F)F.Nc1nc(N2CCC3(CCC[C@H]3N)CC2)nnc1Sc1cccnc1C(F)(F)F.

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

The InChIKey is LAMCNMRRUTWZOK-HMHQXJSSSA-N. The full InChI is InChI=1S/3C19H23F3N6OS.C18H24ClN7OS.C18H22F3N7S/c3*20-19(21,22)15-12(2-1-5-25-15)30-17-16(24)27-14(10-26-17)28-6-3-18(4-7-28)9-11(29)8-13(18)23;19-14-11(1-4-23-15(14)21)28-17-16(22)25-13(9-24-17)26-5-2-18(3-6-26)8-10(27)7-12(18)20;19-18(20,21)13-11(3-2-8-24-13)29-15-14(23)25-16(27-26-15)28-9-6-17(7-10-28)5-1-4-12(17)22/h3*1-2,5,10-11,13,29H,3-4,6-9,23H2,(H2,24,27);1,4,9-10,12,27H,2-3,5-8,20H2,(H2,21,23)(H2,22,25);2-3,8,12H,1,4-7,9-10,22H2,(H2,23,25,27)/t11-,13+;2*11-,13-;10-,12+;12-/m01001/s1.

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

(2R,4R)-4-amino-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(2R,4S)-4-amino-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(2S,4R)-4-amino-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(2R,4R)-4-amino-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(4R)-8-[5-amino-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-1,2,4-triazin-3-yl]-8-azaspiro[4.5]decan-4-amine has a molecular weight of 2168.93 g/mol, XLogP of 13.10, 15 rotatable bonds, 15 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4R)-4-amino-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(2R,4S)-4-amino-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(2S,4R)-4-amino-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(2R,4R)-4-amino-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(4R)-8-[5-amino-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-1,2,4-triazin-3-yl]-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 159293964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).