5-amino-3-[(3S)-3-amino-7-azaspiro[3.5]nonan-7-yl]-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine-2-carboxamide;(3S)-7-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine;7-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine;(3S,4R)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;(3R,4S)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;(3S)-7-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine

C107H125Cl7F6N34OS6 — CID 161497603

About 5-amino-3-[(3S)-3-amino-7-azaspiro[3.5]nonan-7-yl]-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine-2-carboxamide;(3S)-7-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine;7-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine;(3S,4R)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;(3R,4S)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;(3S)-7-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine

5-amino-3-[(3S)-3-amino-7-azaspiro[3.5]nonan-7-yl]-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine-2-carboxamide;(3S)-7-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine;7-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine;(3S,4R)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;(3R,4S)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;(3S)-7-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine (PubChem CID 161497603) has the molecular formula C107H125Cl7F6N34OS6 and a molecular weight of 2457.97 g/mol. Its IUPAC name is 5-amino-3-[(3S)-3-amino-7-azaspiro[3.5]nonan-7-yl]-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine-2-carboxamide;(3S)-7-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine;7-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine;(3S,4R)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;(3R,4S)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;(3S)-7-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine.

Molecular Properties

• Compound Name: 5-amino-3-[(3S)-3-amino-7-azaspiro[3.5]nonan-7-yl]-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine-2-carboxamide;(3S)-7-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine;7-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine;(3S,4R)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;(3R,4S)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;(3S)-7-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine
• PubChem CID: 161497603
• Molecular Formula: C107H125Cl7F6N34OS6
• Molecular Weight: 2457.97 g/mol
• Exact Mass: 2452.68
• IUPAC Name: 5-amino-3-[(3S)-3-amino-7-azaspiro[3.5]nonan-7-yl]-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine-2-carboxamide;(3S)-7-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine;7-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine;(3S,4R)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;(3R,4S)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;(3S)-7-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine
• SMILES: NC(=O)c1nc(Sc2cccnc2C(F)(F)F)c(N)nc1N1CCC2(CC[C@@H]2N)CC1.Nc1cccc(Sc2ncc(N3CCC4(CC[C@@H]4N)CC3)nc2N)c1Cl.Nc1nc(N2CCC3(CCC3N)CC2)cnc1Sc1cccc(Cl)c1Cl.Nc1nc(N2CCC3(CC[C@@H]3N)CC2)cnc1Sc1cccnc1C(F)(F)F.Nc1nc(N2CC[C@@]3(CC[C@H]3N)C2)cnc1Sc1cccc(Cl)c1Cl.Nc1nc(N2CC[C@]3(CC[C@@H]3N)C2)cnc1Sc1cccc(Cl)c1Cl
• InChI: InChI=1S/C19H22F3N7OS.C18H21Cl2N5S.C18H23ClN6S.C18H21F3N6S.2C17H19Cl2N5S/c20-19(21,22)13-10(2-1-7-26-13)31-17-14(24)28-16(12(27-17)15(25)30)29-8-5-18(6-9-29)4-3-11(18)23;19-11-2-1-3-12(15(11)20)26-17-16(22)24-14(10-23-17)25-8-6-18(7-9-25)5-4-13(18)21;19-15-11(20)2-1-3-12(15)26-17-16(22)24-14(10-23-17)25-8-6-18(7-9-25)5-4-13(18)21;19-18(20,21)14-11(2-1-7-24-14)28-16-15(23)26-13(10-25-16)27-8-5-17(6-9-27)4-3-12(17)22;2*18-10-2-1-3-11(14(10)19)25-16-15(21)23-13(8-22-16)24-7-6-17(9-24)5-4-12(17)20/h1-2,7,11H,3-6,8-9,23H2,(H2,24,28)(H2,25,30);1-3,10,13H,4-9,21H2,(H2,22,24);1-3,10,13H,4-9,20-21H2,(H2,22,24);1-2,7,10,12H,3-6,8-9,22H2,(H2,23,26);2*1-3,8,12H,4-7,9,20H2,(H2,21,23)/t11-;;13-;12-;2*12-,17+/m0.0010/s1
• InChIKey: WGKMZASHEFUXBZ-UQPUEUMGSA-N
• XLogP: 20.81
• TPSA: 581.25 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 40
• Rotatable Bonds: 19
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2457.97
LogP ≤ 5	20.81
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[(3S)-3-amino-7-azaspiro[3.5]nonan-7-yl]-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine-2-carboxamide;(3S)-7-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine;7-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine;(3S,4R)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;(3R,4S)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;(3S)-7-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine?

The IUPAC name of 5-amino-3-[(3S)-3-amino-7-azaspiro[3.5]nonan-7-yl]-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine-2-carboxamide;(3S)-7-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine;7-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine;(3S,4R)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;(3R,4S)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;(3S)-7-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine (CID 161497603) is 5-amino-3-[(3S)-3-amino-7-azaspiro[3.5]nonan-7-yl]-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine-2-carboxamide;(3S)-7-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine;7-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine;(3S,4R)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;(3R,4S)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;(3S)-7-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine.

What is the SMILES notation for 5-amino-3-[(3S)-3-amino-7-azaspiro[3.5]nonan-7-yl]-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine-2-carboxamide;(3S)-7-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine;7-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine;(3S,4R)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;(3R,4S)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;(3S)-7-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine?

The canonical SMILES for 5-amino-3-[(3S)-3-amino-7-azaspiro[3.5]nonan-7-yl]-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine-2-carboxamide;(3S)-7-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine;7-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine;(3S,4R)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;(3R,4S)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;(3S)-7-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine is NC(=O)c1nc(Sc2cccnc2C(F)(F)F)c(N)nc1N1CCC2(CC[C@@H]2N)CC1.Nc1cccc(Sc2ncc(N3CCC4(CC[C@@H]4N)CC3)nc2N)c1Cl.Nc1nc(N2CCC3(CCC3N)CC2)cnc1Sc1cccc(Cl)c1Cl.Nc1nc(N2CCC3(CC[C@@H]3N)CC2)cnc1Sc1cccnc1C(F)(F)F.Nc1nc(N2CC[C@@]3(CC[C@H]3N)C2)cnc1Sc1cccc(Cl)c1Cl.Nc1nc(N2CC[C@]3(CC[C@@H]3N)C2)cnc1Sc1cccc(Cl)c1Cl.

What is the InChIKey of 5-amino-3-[(3S)-3-amino-7-azaspiro[3.5]nonan-7-yl]-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine-2-carboxamide;(3S)-7-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine;7-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine;(3S,4R)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;(3R,4S)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;(3S)-7-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine?

The InChIKey is WGKMZASHEFUXBZ-UQPUEUMGSA-N. The full InChI is InChI=1S/C19H22F3N7OS.C18H21Cl2N5S.C18H23ClN6S.C18H21F3N6S.2C17H19Cl2N5S/c20-19(21,22)13-10(2-1-7-26-13)31-17-14(24)28-16(12(27-17)15(25)30)29-8-5-18(6-9-29)4-3-11(18)23;19-11-2-1-3-12(15(11)20)26-17-16(22)24-14(10-23-17)25-8-6-18(7-9-25)5-4-13(18)21;19-15-11(20)2-1-3-12(15)26-17-16(22)24-14(10-23-17)25-8-6-18(7-9-25)5-4-13(18)21;19-18(20,21)14-11(2-1-7-24-14)28-16-15(23)26-13(10-25-16)27-8-5-17(6-9-27)4-3-12(17)22;2*18-10-2-1-3-11(14(10)19)25-16-15(21)23-13(8-22-16)24-7-6-17(9-24)5-4-12(17)20/h1-2,7,11H,3-6,8-9,23H2,(H2,24,28)(H2,25,30);1-3,10,13H,4-9,21H2,(H2,22,24);1-3,10,13H,4-9,20-21H2,(H2,22,24);1-2,7,10,12H,3-6,8-9,22H2,(H2,23,26);2*1-3,8,12H,4-7,9,20H2,(H2,21,23)/t11-;;13-;12-;2*12-,17+/m0.0010/s1.

What are the key properties of 5-amino-3-[(3S)-3-amino-7-azaspiro[3.5]nonan-7-yl]-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine-2-carboxamide;(3S)-7-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine;7-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine;(3S,4R)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;(3R,4S)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;(3S)-7-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine?

5-amino-3-[(3S)-3-amino-7-azaspiro[3.5]nonan-7-yl]-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine-2-carboxamide;(3S)-7-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine;7-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine;(3S,4R)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;(3R,4S)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;(3S)-7-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine has a molecular weight of 2457.97 g/mol, XLogP of 20.81, 19 rotatable bonds, 14 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-3-[(3S)-3-amino-7-azaspiro[3.5]nonan-7-yl]-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine-2-carboxamide;(3S)-7-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine;7-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine;(3S,4R)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;(3R,4S)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;(3S)-7-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine is sourced from PubChem (CID 161497603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).