potassium;2-amino-3-chloropyridine-4-thiolate;[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-4-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-methylpyrazolo[1,5-a]pyrazin-2-yl]methanol;ethyl 7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methyl-4-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazolo[1,5-a]pyrazine-2-carboxylate;ethyl 7-bromo-6-methyl-4-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazolo[1,5-a]pyrazine-2-carboxylate;methane

C81H108BrCl3KN21O12S3 — CID 160653210

About potassium;2-amino-3-chloropyridine-4-thiolate;[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-4-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-methylpyrazolo[1,5-a]pyrazin-2-yl]methanol;ethyl 7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methyl-4-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazolo[1,5-a]pyrazine-2-carboxylate;ethyl 7-bromo-6-methyl-4-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazolo[1,5-a]pyrazine-2-carboxylate;methane

potassium;2-amino-3-chloropyridine-4-thiolate;[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-4-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-methylpyrazolo[1,5-a]pyrazin-2-yl]methanol;ethyl 7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methyl-4-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazolo[1,5-a]pyrazine-2-carboxylate;ethyl 7-bromo-6-methyl-4-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazolo[1,5-a]pyrazine-2-carboxylate;methane (PubChem CID 160653210) has the molecular formula C81H108BrCl3KN21O12S3 and a molecular weight of 1889.45 g/mol. Its IUPAC name is potassium;2-amino-3-chloropyridine-4-thiolate;[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-4-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-methylpyrazolo[1,5-a]pyrazin-2-yl]methanol;ethyl 7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methyl-4-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazolo[1,5-a]pyrazine-2-carboxylate;ethyl 7-bromo-6-methyl-4-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazolo[1,5-a]pyrazine-2-carboxylate;methane.

Molecular Properties

• Compound Name: potassium;2-amino-3-chloropyridine-4-thiolate;[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-4-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-methylpyrazolo[1,5-a]pyrazin-2-yl]methanol;ethyl 7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methyl-4-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazolo[1,5-a]pyrazine-2-carboxylate;ethyl 7-bromo-6-methyl-4-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazolo[1,5-a]pyrazine-2-carboxylate;methane
• PubChem CID: 160653210
• Molecular Formula: C81H108BrCl3KN21O12S3
• Molecular Weight: 1889.45 g/mol
• Exact Mass: 1885.55
• IUPAC Name: potassium;2-amino-3-chloropyridine-4-thiolate;[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-4-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-methylpyrazolo[1,5-a]pyrazin-2-yl]methanol;ethyl 7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methyl-4-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazolo[1,5-a]pyrazine-2-carboxylate;ethyl 7-bromo-6-methyl-4-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazolo[1,5-a]pyrazine-2-carboxylate;methane
• SMILES: C.CCOC(=O)c1cc2c(N3CCC4(CC3)CO[C@@H](C)[C@H]4NC(=O)OC(C)(C)C)nc(C)c(Br)n2n1.CCOC(=O)c1cc2c(N3CCC4(CC3)CO[C@@H](C)[C@H]4NC(=O)OC(C)(C)C)nc(C)c(Sc3ccnc(N)c3Cl)n2n1.Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)c2cc(CO)nn2c1Sc1ccnc(N)c1Cl.Nc1nccc([S-])c1Cl.[K+]
• InChI: InChI=1S/C29H38ClN7O5S.C24H34BrN5O5.C22H28ClN7O2S.C5H5ClN2S.CH4.K/c1-7-40-26(38)18-14-19-24(33-16(2)25(37(19)35-18)43-20-8-11-32-23(31)21(20)30)36-12-9-29(10-13-36)15-41-17(3)22(29)34-27(39)42-28(4,5)6;1-7-33-21(31)16-12-17-20(26-14(2)19(25)30(17)28-16)29-10-8-24(9-11-29)13-34-15(3)18(24)27-22(32)35-23(4,5)6;1-12-21(33-16-3-6-26-19(25)17(16)23)30-15(9-14(10-31)28-30)20(27-12)29-7-4-22(5-8-29)11-32-13(2)18(22)24;6-4-3(9)1-2-8-5(4)7;;/h8,11,14,17,22H,7,9-10,12-13,15H2,1-6H3,(H2,31,32)(H,34,39);12,15,18H,7-11,13H2,1-6H3,(H,27,32);3,6,9,13,18,31H,4-5,7-8,10-11,24H2,1-2H3,(H2,25,26);1-2H,(H3,7,8,9);1H4;/q;;;;;+1/p-1/t17-,22+;15-,18+;13-,18+;;;/m000.../s1
• InChIKey: RKRPWDQOKKCYHJ-IMAWRDDASA-M
• XLogP: 10.28
• TPSA: 420.22 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 34
• Rotatable Bonds: 14
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1889.45
LogP ≤ 5	10.28
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;2-amino-3-chloropyridine-4-thiolate;[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-4-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-methylpyrazolo[1,5-a]pyrazin-2-yl]methanol;ethyl 7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methyl-4-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazolo[1,5-a]pyrazine-2-carboxylate;ethyl 7-bromo-6-methyl-4-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazolo[1,5-a]pyrazine-2-carboxylate;methane?

The IUPAC name of potassium;2-amino-3-chloropyridine-4-thiolate;[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-4-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-methylpyrazolo[1,5-a]pyrazin-2-yl]methanol;ethyl 7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methyl-4-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazolo[1,5-a]pyrazine-2-carboxylate;ethyl 7-bromo-6-methyl-4-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazolo[1,5-a]pyrazine-2-carboxylate;methane (CID 160653210) is potassium;2-amino-3-chloropyridine-4-thiolate;[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-4-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-methylpyrazolo[1,5-a]pyrazin-2-yl]methanol;ethyl 7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methyl-4-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazolo[1,5-a]pyrazine-2-carboxylate;ethyl 7-bromo-6-methyl-4-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazolo[1,5-a]pyrazine-2-carboxylate;methane.

What is the SMILES notation for potassium;2-amino-3-chloropyridine-4-thiolate;[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-4-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-methylpyrazolo[1,5-a]pyrazin-2-yl]methanol;ethyl 7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methyl-4-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazolo[1,5-a]pyrazine-2-carboxylate;ethyl 7-bromo-6-methyl-4-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazolo[1,5-a]pyrazine-2-carboxylate;methane?

The canonical SMILES for potassium;2-amino-3-chloropyridine-4-thiolate;[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-4-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-methylpyrazolo[1,5-a]pyrazin-2-yl]methanol;ethyl 7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methyl-4-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazolo[1,5-a]pyrazine-2-carboxylate;ethyl 7-bromo-6-methyl-4-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazolo[1,5-a]pyrazine-2-carboxylate;methane is C.CCOC(=O)c1cc2c(N3CCC4(CC3)CO[C@@H](C)[C@H]4NC(=O)OC(C)(C)C)nc(C)c(Br)n2n1.CCOC(=O)c1cc2c(N3CCC4(CC3)CO[C@@H](C)[C@H]4NC(=O)OC(C)(C)C)nc(C)c(Sc3ccnc(N)c3Cl)n2n1.Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)c2cc(CO)nn2c1Sc1ccnc(N)c1Cl.Nc1nccc([S-])c1Cl.[K+].

What is the InChIKey of potassium;2-amino-3-chloropyridine-4-thiolate;[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-4-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-methylpyrazolo[1,5-a]pyrazin-2-yl]methanol;ethyl 7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methyl-4-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazolo[1,5-a]pyrazine-2-carboxylate;ethyl 7-bromo-6-methyl-4-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazolo[1,5-a]pyrazine-2-carboxylate;methane?

The InChIKey is RKRPWDQOKKCYHJ-IMAWRDDASA-M. The full InChI is InChI=1S/C29H38ClN7O5S.C24H34BrN5O5.C22H28ClN7O2S.C5H5ClN2S.CH4.K/c1-7-40-26(38)18-14-19-24(33-16(2)25(37(19)35-18)43-20-8-11-32-23(31)21(20)30)36-12-9-29(10-13-36)15-41-17(3)22(29)34-27(39)42-28(4,5)6;1-7-33-21(31)16-12-17-20(26-14(2)19(25)30(17)28-16)29-10-8-24(9-11-29)13-34-15(3)18(24)27-22(32)35-23(4,5)6;1-12-21(33-16-3-6-26-19(25)17(16)23)30-15(9-14(10-31)28-30)20(27-12)29-7-4-22(5-8-29)11-32-13(2)18(22)24;6-4-3(9)1-2-8-5(4)7;;/h8,11,14,17,22H,7,9-10,12-13,15H2,1-6H3,(H2,31,32)(H,34,39);12,15,18H,7-11,13H2,1-6H3,(H,27,32);3,6,9,13,18,31H,4-5,7-8,10-11,24H2,1-2H3,(H2,25,26);1-2H,(H3,7,8,9);1H4;/q;;;;;+1/p-1/t17-,22+;15-,18+;13-,18+;;;/m000.../s1.

What are the key properties of potassium;2-amino-3-chloropyridine-4-thiolate;[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-4-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-methylpyrazolo[1,5-a]pyrazin-2-yl]methanol;ethyl 7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methyl-4-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazolo[1,5-a]pyrazine-2-carboxylate;ethyl 7-bromo-6-methyl-4-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazolo[1,5-a]pyrazine-2-carboxylate;methane?

potassium;2-amino-3-chloropyridine-4-thiolate;[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-4-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-methylpyrazolo[1,5-a]pyrazin-2-yl]methanol;ethyl 7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methyl-4-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazolo[1,5-a]pyrazine-2-carboxylate;ethyl 7-bromo-6-methyl-4-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazolo[1,5-a]pyrazine-2-carboxylate;methane has a molecular weight of 1889.45 g/mol, XLogP of 10.28, 14 rotatable bonds, 7 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;2-amino-3-chloropyridine-4-thiolate;[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-4-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-methylpyrazolo[1,5-a]pyrazin-2-yl]methanol;ethyl 7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methyl-4-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazolo[1,5-a]pyrazine-2-carboxylate;ethyl 7-bromo-6-methyl-4-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazolo[1,5-a]pyrazine-2-carboxylate;methane is sourced from PubChem (CID 160653210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).