(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

C57H69F9N18O3S3 — CID 158263356

IUPAC(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
SMILESNc1nc(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)cnc1Sc1cccnc1C(F)(F)F
InChIInChI=1S/3C19H23F3N6OS/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/h3*1-2,5,10-11,13,29H,3-4,6-9,23H2,(H2,24,27)/t11-,13+;2*11-,13-/m010/s1
InChIKeyGIDJMTQFZWWHHA-VPXYZGNSSA-N
MW1321.48 g/mol
LogP8.08
Rot. Bonds9

About (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

(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 (PubChem CID 158263356) has the molecular formula C57H69F9N18O3S3 and a molecular weight of 1321.48 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID158263356
Molecular FormulaC57H69F9N18O3S3
Molecular Weight1321.48 g/mol
Exact Mass1320.48
IUPAC Name(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
SMILESNc1nc(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)cnc1Sc1cccnc1C(F)(F)F
InChIInChI=1S/3C19H23F3N6OS/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/h3*1-2,5,10-11,13,29H,3-4,6-9,23H2,(H2,24,27)/t11-,13+;2*11-,13-/m010/s1
InChIKeyGIDJMTQFZWWHHA-VPXYZGNSSA-N
XLogP8.08
TPSA342.54 Ų
H-Bond Donors9
H-Bond Acceptors24
Rotatable Bonds9
Heavy Atoms90
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001321.48
LogP ≤ 58.08
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1024

Analyze (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 with MolForge

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Launch Full Analysis

Related Compounds

US10336774, Example 44
CID 118247701
US10336774, Example 42
CID 118247726
US10336774, Example 43
CID 118247728
US10336774, Example 48
CID 118247757
US10336774, Example 49
CID 118247758
8-[6-Amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine
CID 123265954
8-[6-Amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-4-(methylamino)-8-azaspiro[4.5]decan-2-ol
CID 123373245
4-Amino-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol
CID 123398937
(2S,4R)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-N-[(3S)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-3-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine
CID 135294457
(2R,4S)-8-[6-amino-5-[2-(trifluoromethyl)pyridin-3-yl]sulfanylpyrazin-2-yl]-2-N-[(2S,4S)-8-[6-amino-5-[2-(trifluoromethyl)pyridin-3-yl]sulfanylpyrazin-2-yl]-2-methyl-8-azaspiro[4.5]decan-4-yl]-8-azaspiro[4.5]decane-2,4-diamine
CID 135294521
(2R,4R)-8-[6-amino-5-[2-(trifluoromethyl)pyridin-3-yl]sulfanylpyrazin-2-yl]-2-N-[(2S,4R)-8-[6-amino-5-[2-(trifluoromethyl)pyridin-3-yl]sulfanylpyrazin-2-yl]-2-methyl-8-azaspiro[4.5]decan-4-yl]-8-azaspiro[4.5]decane-2,4-diamine
CID 135294528
(3S)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-3-ol
CID 139365342

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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 (CID 158263356) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 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)cnc1Sc1cccnc1C(F)(F)F.
What is the InChIKey of (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?
The InChIKey is GIDJMTQFZWWHHA-VPXYZGNSSA-N. The full InChI is InChI=1S/3C19H23F3N6OS/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/h3*1-2,5,10-11,13,29H,3-4,6-9,23H2,(H2,24,27)/t11-,13+;2*11-,13-/m010/s1.
What are the key properties of (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?
(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 has a molecular weight of 1321.48 g/mol, XLogP of 8.08, 9 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 158263356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).