8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-2,8-diazaspiro[4.5]dec-1-en-1-amine;tert-butyl 1-amino-2,8-diazaspiro[4.5]dec-1-ene-8-carboxylate;tert-butyl 1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate;tert-butyl 1-sulfanylidene-2,8-diazaspiro[4.5]decane-8-carboxylate;2,8-diazaspiro[4.5]dec-1-en-1-amine

C65H102F3N17O7S2 — CID 158487310

About 8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-2,8-diazaspiro[4.5]dec-1-en-1-amine;tert-butyl 1-amino-2,8-diazaspiro[4.5]dec-1-ene-8-carboxylate;tert-butyl 1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate;tert-butyl 1-sulfanylidene-2,8-diazaspiro[4.5]decane-8-carboxylate;2,8-diazaspiro[4.5]dec-1-en-1-amine

8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-2,8-diazaspiro[4.5]dec-1-en-1-amine;tert-butyl 1-amino-2,8-diazaspiro[4.5]dec-1-ene-8-carboxylate;tert-butyl 1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate;tert-butyl 1-sulfanylidene-2,8-diazaspiro[4.5]decane-8-carboxylate;2,8-diazaspiro[4.5]dec-1-en-1-amine (PubChem CID 158487310) has the molecular formula C65H102F3N17O7S2 and a molecular weight of 1354.77 g/mol. Its IUPAC name is 8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-2,8-diazaspiro[4.5]dec-1-en-1-amine;tert-butyl 1-amino-2,8-diazaspiro[4.5]dec-1-ene-8-carboxylate;tert-butyl 1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate;tert-butyl 1-sulfanylidene-2,8-diazaspiro[4.5]decane-8-carboxylate;2,8-diazaspiro[4.5]dec-1-en-1-amine.

Molecular Properties

• Compound Name: 8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-2,8-diazaspiro[4.5]dec-1-en-1-amine;tert-butyl 1-amino-2,8-diazaspiro[4.5]dec-1-ene-8-carboxylate;tert-butyl 1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate;tert-butyl 1-sulfanylidene-2,8-diazaspiro[4.5]decane-8-carboxylate;2,8-diazaspiro[4.5]dec-1-en-1-amine
• PubChem CID: 158487310
• Molecular Formula: C65H102F3N17O7S2
• Molecular Weight: 1354.77 g/mol
• Exact Mass: 1353.75
• IUPAC Name: 8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-2,8-diazaspiro[4.5]dec-1-en-1-amine;tert-butyl 1-amino-2,8-diazaspiro[4.5]dec-1-ene-8-carboxylate;tert-butyl 1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate;tert-butyl 1-sulfanylidene-2,8-diazaspiro[4.5]decane-8-carboxylate;2,8-diazaspiro[4.5]dec-1-en-1-amine
• SMILES: CC(C)(C)OC(=O)N1CCC2(CCN=C2N)CC1.CC(C)(C)OC(=O)N1CCC2(CCNC2=O)CC1.CC(C)(C)OC(=O)N1CCC2(CCNC2=S)CC1.NC1=NCCC12CCN(c1cnc(Sc3cccnc3C(F)(F)F)c(N)n1)CC2.NC1=NCCC12CCNCC2
• InChI: InChI=1S/C18H20F3N7S.C13H23N3O2.C13H22N2O3.C13H22N2O2S.C8H15N3/c19-18(20,21)13-11(2-1-6-24-13)29-15-14(22)27-12(10-26-15)28-8-4-17(5-9-28)3-7-25-16(17)23;1-12(2,3)18-11(17)16-8-5-13(6-9-16)4-7-15-10(13)14;1-12(2,3)18-11(17)15-8-5-13(6-9-15)4-7-14-10(13)16;1-12(2,3)17-11(16)15-8-5-13(6-9-15)4-7-14-10(13)18;9-7-8(3-6-11-7)1-4-10-5-2-8/h1-2,6,10H,3-5,7-9H2,(H2,22,27)(H2,23,25);4-9H2,1-3H3,(H2,14,15);4-9H2,1-3H3,(H,14,16);4-9H2,1-3H3,(H,14,18);10H,1-6H2,(H2,9,11)
• InChIKey: HIGHBJMKQJUQCE-UHFFFAOYSA-N
• XLogP: 8.70
• TPSA: 324.85 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 21
• Rotatable Bonds: 3
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1354.77
LogP ≤ 5	8.70
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-2,8-diazaspiro[4.5]dec-1-en-1-amine;tert-butyl 1-amino-2,8-diazaspiro[4.5]dec-1-ene-8-carboxylate;tert-butyl 1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate;tert-butyl 1-sulfanylidene-2,8-diazaspiro[4.5]decane-8-carboxylate;2,8-diazaspiro[4.5]dec-1-en-1-amine?

The IUPAC name of 8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-2,8-diazaspiro[4.5]dec-1-en-1-amine;tert-butyl 1-amino-2,8-diazaspiro[4.5]dec-1-ene-8-carboxylate;tert-butyl 1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate;tert-butyl 1-sulfanylidene-2,8-diazaspiro[4.5]decane-8-carboxylate;2,8-diazaspiro[4.5]dec-1-en-1-amine (CID 158487310) is 8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-2,8-diazaspiro[4.5]dec-1-en-1-amine;tert-butyl 1-amino-2,8-diazaspiro[4.5]dec-1-ene-8-carboxylate;tert-butyl 1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate;tert-butyl 1-sulfanylidene-2,8-diazaspiro[4.5]decane-8-carboxylate;2,8-diazaspiro[4.5]dec-1-en-1-amine.

What is the SMILES notation for 8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-2,8-diazaspiro[4.5]dec-1-en-1-amine;tert-butyl 1-amino-2,8-diazaspiro[4.5]dec-1-ene-8-carboxylate;tert-butyl 1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate;tert-butyl 1-sulfanylidene-2,8-diazaspiro[4.5]decane-8-carboxylate;2,8-diazaspiro[4.5]dec-1-en-1-amine?

The canonical SMILES for 8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-2,8-diazaspiro[4.5]dec-1-en-1-amine;tert-butyl 1-amino-2,8-diazaspiro[4.5]dec-1-ene-8-carboxylate;tert-butyl 1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate;tert-butyl 1-sulfanylidene-2,8-diazaspiro[4.5]decane-8-carboxylate;2,8-diazaspiro[4.5]dec-1-en-1-amine is CC(C)(C)OC(=O)N1CCC2(CCN=C2N)CC1.CC(C)(C)OC(=O)N1CCC2(CCNC2=O)CC1.CC(C)(C)OC(=O)N1CCC2(CCNC2=S)CC1.NC1=NCCC12CCN(c1cnc(Sc3cccnc3C(F)(F)F)c(N)n1)CC2.NC1=NCCC12CCNCC2.

What is the InChIKey of 8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-2,8-diazaspiro[4.5]dec-1-en-1-amine;tert-butyl 1-amino-2,8-diazaspiro[4.5]dec-1-ene-8-carboxylate;tert-butyl 1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate;tert-butyl 1-sulfanylidene-2,8-diazaspiro[4.5]decane-8-carboxylate;2,8-diazaspiro[4.5]dec-1-en-1-amine?

The InChIKey is HIGHBJMKQJUQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N7S.C13H23N3O2.C13H22N2O3.C13H22N2O2S.C8H15N3/c19-18(20,21)13-11(2-1-6-24-13)29-15-14(22)27-12(10-26-15)28-8-4-17(5-9-28)3-7-25-16(17)23;1-12(2,3)18-11(17)16-8-5-13(6-9-16)4-7-15-10(13)14;1-12(2,3)18-11(17)15-8-5-13(6-9-15)4-7-14-10(13)16;1-12(2,3)17-11(16)15-8-5-13(6-9-15)4-7-14-10(13)18;9-7-8(3-6-11-7)1-4-10-5-2-8/h1-2,6,10H,3-5,7-9H2,(H2,22,27)(H2,23,25);4-9H2,1-3H3,(H2,14,15);4-9H2,1-3H3,(H,14,16);4-9H2,1-3H3,(H,14,18);10H,1-6H2,(H2,9,11).

What are the key properties of 8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-2,8-diazaspiro[4.5]dec-1-en-1-amine;tert-butyl 1-amino-2,8-diazaspiro[4.5]dec-1-ene-8-carboxylate;tert-butyl 1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate;tert-butyl 1-sulfanylidene-2,8-diazaspiro[4.5]decane-8-carboxylate;2,8-diazaspiro[4.5]dec-1-en-1-amine?

8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-2,8-diazaspiro[4.5]dec-1-en-1-amine;tert-butyl 1-amino-2,8-diazaspiro[4.5]dec-1-ene-8-carboxylate;tert-butyl 1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate;tert-butyl 1-sulfanylidene-2,8-diazaspiro[4.5]decane-8-carboxylate;2,8-diazaspiro[4.5]dec-1-en-1-amine has a molecular weight of 1354.77 g/mol, XLogP of 8.70, 3 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-2,8-diazaspiro[4.5]dec-1-en-1-amine;tert-butyl 1-amino-2,8-diazaspiro[4.5]dec-1-ene-8-carboxylate;tert-butyl 1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate;tert-butyl 1-sulfanylidene-2,8-diazaspiro[4.5]decane-8-carboxylate;2,8-diazaspiro[4.5]dec-1-en-1-amine is sourced from PubChem (CID 158487310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).