potassium;2-amino-3-chloropyridine-4-thiolate;(3S,4S)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;5-bromo-8-chloro-6-methylimidazo[1,2-a]pyrazine;(3S,4S)-8-(5-bromo-6-methylimidazo[1,2-a]pyrazin-8-yl)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine

C58H75Br2Cl3KN19O3S2 — CID 157275703

About potassium;2-amino-3-chloropyridine-4-thiolate;(3S,4S)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;5-bromo-8-chloro-6-methylimidazo[1,2-a]pyrazine;(3S,4S)-8-(5-bromo-6-methylimidazo[1,2-a]pyrazin-8-yl)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine

potassium;2-amino-3-chloropyridine-4-thiolate;(3S,4S)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;5-bromo-8-chloro-6-methylimidazo[1,2-a]pyrazine;(3S,4S)-8-(5-bromo-6-methylimidazo[1,2-a]pyrazin-8-yl)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine (PubChem CID 157275703) has the molecular formula C58H75Br2Cl3KN19O3S2 and a molecular weight of 1455.77 g/mol. Its IUPAC name is potassium;2-amino-3-chloropyridine-4-thiolate;(3S,4S)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;5-bromo-8-chloro-6-methylimidazo[1,2-a]pyrazine;(3S,4S)-8-(5-bromo-6-methylimidazo[1,2-a]pyrazin-8-yl)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

• Compound Name: potassium;2-amino-3-chloropyridine-4-thiolate;(3S,4S)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;5-bromo-8-chloro-6-methylimidazo[1,2-a]pyrazine;(3S,4S)-8-(5-bromo-6-methylimidazo[1,2-a]pyrazin-8-yl)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
• PubChem CID: 157275703
• Molecular Formula: C58H75Br2Cl3KN19O3S2
• Molecular Weight: 1455.77 g/mol
• Exact Mass: 1451.28
• IUPAC Name: potassium;2-amino-3-chloropyridine-4-thiolate;(3S,4S)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;5-bromo-8-chloro-6-methylimidazo[1,2-a]pyrazine;(3S,4S)-8-(5-bromo-6-methylimidazo[1,2-a]pyrazin-8-yl)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
• SMILES: C[C@@H]1OCC2(CCNCC2)[C@@H]1N.Cc1nc(Cl)c2nccn2c1Br.Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)c2nccn2c1Br.Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)c2nccn2c1Sc1ccnc(N)c1Cl.Nc1nccc([S-])c1Cl.[K+]
• InChI: InChI=1S/C21H26ClN7OS.C16H22BrN5O.C9H18N2O.C7H5BrClN3.C5H5ClN2S.K/c1-12-20(31-14-3-6-25-17(24)15(14)22)29-10-7-26-18(29)19(27-12)28-8-4-21(5-9-28)11-30-13(2)16(21)23;1-10-13(17)22-8-5-19-14(22)15(20-10)21-6-3-16(4-7-21)9-23-11(2)12(16)18;1-7-8(10)9(6-12-7)2-4-11-5-3-9;1-4-5(8)12-3-2-10-7(12)6(9)11-4;6-4-3(9)1-2-8-5(4)7;/h3,6-7,10,13,16H,4-5,8-9,11,23H2,1-2H3,(H2,24,25);5,8,11-12H,3-4,6-7,9,18H2,1-2H3;7-8,11H,2-6,10H2,1H3;2-3H,1H3;1-2H,(H3,7,8,9);/q;;;;;+1/p-1/t13-,16+;11-,12+;7-,8+;;;/m000.../s1
• InChIKey: AZBMFDBLNNNPEJ-BWRBLJEFSA-M
• XLogP: 6.07
• TPSA: 292.65 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 4
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1455.77
LogP ≤ 5	6.07
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thiol_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;2-amino-3-chloropyridine-4-thiolate;(3S,4S)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;5-bromo-8-chloro-6-methylimidazo[1,2-a]pyrazine;(3S,4S)-8-(5-bromo-6-methylimidazo[1,2-a]pyrazin-8-yl)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine?

The IUPAC name of potassium;2-amino-3-chloropyridine-4-thiolate;(3S,4S)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;5-bromo-8-chloro-6-methylimidazo[1,2-a]pyrazine;(3S,4S)-8-(5-bromo-6-methylimidazo[1,2-a]pyrazin-8-yl)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine (CID 157275703) is potassium;2-amino-3-chloropyridine-4-thiolate;(3S,4S)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;5-bromo-8-chloro-6-methylimidazo[1,2-a]pyrazine;(3S,4S)-8-(5-bromo-6-methylimidazo[1,2-a]pyrazin-8-yl)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine.

What is the SMILES notation for potassium;2-amino-3-chloropyridine-4-thiolate;(3S,4S)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;5-bromo-8-chloro-6-methylimidazo[1,2-a]pyrazine;(3S,4S)-8-(5-bromo-6-methylimidazo[1,2-a]pyrazin-8-yl)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine?

The canonical SMILES for potassium;2-amino-3-chloropyridine-4-thiolate;(3S,4S)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;5-bromo-8-chloro-6-methylimidazo[1,2-a]pyrazine;(3S,4S)-8-(5-bromo-6-methylimidazo[1,2-a]pyrazin-8-yl)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine is C[C@@H]1OCC2(CCNCC2)[C@@H]1N.Cc1nc(Cl)c2nccn2c1Br.Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)c2nccn2c1Br.Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)c2nccn2c1Sc1ccnc(N)c1Cl.Nc1nccc([S-])c1Cl.[K+].

What is the InChIKey of potassium;2-amino-3-chloropyridine-4-thiolate;(3S,4S)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;5-bromo-8-chloro-6-methylimidazo[1,2-a]pyrazine;(3S,4S)-8-(5-bromo-6-methylimidazo[1,2-a]pyrazin-8-yl)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine?

The InChIKey is AZBMFDBLNNNPEJ-BWRBLJEFSA-M. The full InChI is InChI=1S/C21H26ClN7OS.C16H22BrN5O.C9H18N2O.C7H5BrClN3.C5H5ClN2S.K/c1-12-20(31-14-3-6-25-17(24)15(14)22)29-10-7-26-18(29)19(27-12)28-8-4-21(5-9-28)11-30-13(2)16(21)23;1-10-13(17)22-8-5-19-14(22)15(20-10)21-6-3-16(4-7-21)9-23-11(2)12(16)18;1-7-8(10)9(6-12-7)2-4-11-5-3-9;1-4-5(8)12-3-2-10-7(12)6(9)11-4;6-4-3(9)1-2-8-5(4)7;/h3,6-7,10,13,16H,4-5,8-9,11,23H2,1-2H3,(H2,24,25);5,8,11-12H,3-4,6-7,9,18H2,1-2H3;7-8,11H,2-6,10H2,1H3;2-3H,1H3;1-2H,(H3,7,8,9);/q;;;;;+1/p-1/t13-,16+;11-,12+;7-,8+;;;/m000.../s1.

What are the key properties of potassium;2-amino-3-chloropyridine-4-thiolate;(3S,4S)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;5-bromo-8-chloro-6-methylimidazo[1,2-a]pyrazine;(3S,4S)-8-(5-bromo-6-methylimidazo[1,2-a]pyrazin-8-yl)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine?

potassium;2-amino-3-chloropyridine-4-thiolate;(3S,4S)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;5-bromo-8-chloro-6-methylimidazo[1,2-a]pyrazine;(3S,4S)-8-(5-bromo-6-methylimidazo[1,2-a]pyrazin-8-yl)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine has a molecular weight of 1455.77 g/mol, XLogP of 6.07, 4 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;2-amino-3-chloropyridine-4-thiolate;(3S,4S)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;5-bromo-8-chloro-6-methylimidazo[1,2-a]pyrazine;(3S,4S)-8-(5-bromo-6-methylimidazo[1,2-a]pyrazin-8-yl)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 157275703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).