(2S,3S,4S)-4-amino-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decane-2,3-diol;(2S,4R)-4-amino-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methyl-8-azaspiro[4.5]decan-2-ol;4-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanyl-2-chloropyridine-3-carbonitrile;(4R)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine;(2S,4R)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine;(3S,4R)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-8-azaspiro[4.5]decan-4-amine;(2S,3S,4S)-4-amino-8-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decane-2,3-diol

C130H161Cl8F2N41O6S7 — CID 159121241

IUPAC(2S,3S,4S)-4-amino-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decane-2,3-diol;(2S,4R)-4-amino-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methyl-8-azaspiro[4.5]decan-2-ol;4-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanyl-2-chloropyridine-3-carbonitrile;(4R)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine;(2S,4R)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine;(3S,4R)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-8-azaspiro[4.5]decan-4-amine;(2S,3S,4S)-4-amino-8-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decane-2,3-diol
SMILESCO[C@@H]1C[C@@H](N)C2(CCN(c3cnc(Sc4ccnc(N)c4Cl)cn3)CC2)C1.C[C@@]1(O)C[C@@H](N)C2(CCN(c3cnc(Sc4ccnc(N)c4Cl)cn3)CC2)C1.C[C@H]1CCC2(CCN(c3cnc(Sc4ccnc(N)c4Cl)cn3)CC2)[C@@H]1N.N#Cc1c(Sc2cnc(N3CCC4(CCC[C@H]4N)CC3)cn2)ccnc1Cl.N[C@@H]1[C@H](O)[C@@H](O)CC12CCN(c1cnc(Sc3ccnc(Cl)c3Cl)cn1)CC2.Nc1nccc(Sc2cnc(N3CCC4(CC3)CC(F)(F)C[C@H]4N)cn2)c1Cl.Nc1nccc(Sc2cnc(N3CCC4(CC3)C[C@H](O)[C@@H](O)[C@H]4N)cn2)c1Cl
InChIInChI=1S/2C19H25ClN6OS.C19H25ClN6S.C19H21ClN6S.C18H21Cl2N5O2S.C18H21ClF2N6S.C18H23ClN6O2S/c1-27-12-8-14(21)19(9-12)3-6-26(7-4-19)15-10-25-16(11-24-15)28-13-2-5-23-18(22)17(13)20;1-18(27)8-13(21)19(11-18)3-6-26(7-4-19)14-9-25-15(10-24-14)28-12-2-5-23-17(22)16(12)20;1-12-2-4-19(17(12)21)5-8-26(9-6-19)14-10-25-15(11-24-14)27-13-3-7-23-18(22)16(13)20;20-18-13(10-21)14(3-7-23-18)27-17-12-24-16(11-25-17)26-8-5-19(6-9-26)4-1-2-15(19)22;19-14-11(1-4-22-17(14)20)28-13-9-23-12(8-24-13)25-5-2-18(3-6-25)7-10(26)15(27)16(18)21;19-15-11(1-4-24-16(15)23)28-14-9-25-13(8-26-14)27-5-2-17(3-6-27)10-18(20,21)7-12(17)22;19-14-11(1-4-22-17(14)21)28-13-9-23-12(8-24-13)25-5-2-18(3-6-25)7-10(26)15(27)16(18)20/h2,5,10-12,14H,3-4,6-9,21H2,1H3,(H2,22,23);2,5,9-10,13,27H,3-4,6-8,11,21H2,1H3,(H2,22,23);3,7,10-12,17H,2,4-6,8-9,21H2,1H3,(H2,22,23);3,7,11-12,15H,1-2,4-6,8-9,22H2;1,4,8-10,15-16,26-27H,2-3,5-7,21H2;1,4,8-9,12H,2-3,5-7,10,22H2,(H2,23,24);1,4,8-10,15-16,26-27H,2-3,5-7,20H2,(H2,21,22)/t12-,14-;13-,18-;12-,17+;15-;10-,15+,16+;12-;10-,15+,16+/m1101010/s1
InChIKeyKFSJGPANCQTROT-NZYIKQCHSA-N
MW2940.09 g/mol
LogP20.21
Rot. Bonds22

About (2S,3S,4S)-4-amino-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decane-2,3-diol;(2S,4R)-4-amino-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methyl-8-azaspiro[4.5]decan-2-ol;4-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanyl-2-chloropyridine-3-carbonitrile;(4R)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine;(2S,4R)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine;(3S,4R)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-8-azaspiro[4.5]decan-4-amine;(2S,3S,4S)-4-amino-8-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decane-2,3-diol

(2S,3S,4S)-4-amino-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decane-2,3-diol;(2S,4R)-4-amino-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methyl-8-azaspiro[4.5]decan-2-ol;4-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanyl-2-chloropyridine-3-carbonitrile;(4R)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine;(2S,4R)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine;(3S,4R)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-8-azaspiro[4.5]decan-4-amine;(2S,3S,4S)-4-amino-8-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decane-2,3-diol (PubChem CID 159121241) has the molecular formula C130H161Cl8F2N41O6S7 and a molecular weight of 2940.09 g/mol. Its IUPAC name is (2S,3S,4S)-4-amino-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decane-2,3-diol;(2S,4R)-4-amino-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methyl-8-azaspiro[4.5]decan-2-ol;4-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanyl-2-chloropyridine-3-carbonitrile;(4R)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine;(2S,4R)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine;(3S,4R)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-8-azaspiro[4.5]decan-4-amine;(2S,3S,4S)-4-amino-8-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decane-2,3-diol.

Molecular Properties

Compound Name(2S,3S,4S)-4-amino-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decane-2,3-diol;(2S,4R)-4-amino-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methyl-8-azaspiro[4.5]decan-2-ol;4-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanyl-2-chloropyridine-3-carbonitrile;(4R)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine;(2S,4R)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine;(3S,4R)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-8-azaspiro[4.5]decan-4-amine;(2S,3S,4S)-4-amino-8-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decane-2,3-diol
PubChem CID159121241
Molecular FormulaC130H161Cl8F2N41O6S7
Molecular Weight2940.09 g/mol
Exact Mass2933.91
IUPAC Name(2S,3S,4S)-4-amino-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decane-2,3-diol;(2S,4R)-4-amino-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methyl-8-azaspiro[4.5]decan-2-ol;4-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanyl-2-chloropyridine-3-carbonitrile;(4R)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine;(2S,4R)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine;(3S,4R)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-8-azaspiro[4.5]decan-4-amine;(2S,3S,4S)-4-amino-8-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decane-2,3-diol
SMILESCO[C@@H]1C[C@@H](N)C2(CCN(c3cnc(Sc4ccnc(N)c4Cl)cn3)CC2)C1.C[C@@]1(O)C[C@@H](N)C2(CCN(c3cnc(Sc4ccnc(N)c4Cl)cn3)CC2)C1.C[C@H]1CCC2(CCN(c3cnc(Sc4ccnc(N)c4Cl)cn3)CC2)[C@@H]1N.N#Cc1c(Sc2cnc(N3CCC4(CCC[C@H]4N)CC3)cn2)ccnc1Cl.N[C@@H]1[C@H](O)[C@@H](O)CC12CCN(c1cnc(Sc3ccnc(Cl)c3Cl)cn1)CC2.Nc1nccc(Sc2cnc(N3CCC4(CC3)CC(F)(F)C[C@H]4N)cn2)c1Cl.Nc1nccc(Sc2cnc(N3CCC4(CC3)C[C@H](O)[C@@H](O)[C@H]4N)cn2)c1Cl
InChIInChI=1S/2C19H25ClN6OS.C19H25ClN6S.C19H21ClN6S.C18H21Cl2N5O2S.C18H21ClF2N6S.C18H23ClN6O2S/c1-27-12-8-14(21)19(9-12)3-6-26(7-4-19)15-10-25-16(11-24-15)28-13-2-5-23-18(22)17(13)20;1-18(27)8-13(21)19(11-18)3-6-26(7-4-19)14-9-25-15(10-24-14)28-12-2-5-23-17(22)16(12)20;1-12-2-4-19(17(12)21)5-8-26(9-6-19)14-10-25-15(11-24-14)27-13-3-7-23-18(22)16(13)20;20-18-13(10-21)14(3-7-23-18)27-17-12-24-16(11-25-17)26-8-5-19(6-9-26)4-1-2-15(19)22;19-14-11(1-4-22-17(14)20)28-13-9-23-12(8-24-13)25-5-2-18(3-6-25)7-10(26)15(27)16(18)21;19-15-11(1-4-24-16(15)23)28-14-9-25-13(8-26-14)27-5-2-17(3-6-27)10-18(20,21)7-12(17)22;19-14-11(1-4-22-17(14)21)28-13-9-23-12(8-24-13)25-5-2-18(3-6-25)7-10(26)15(27)16(18)20/h2,5,10-12,14H,3-4,6-9,21H2,1H3,(H2,22,23);2,5,9-10,13,27H,3-4,6-8,11,21H2,1H3,(H2,22,23);3,7,10-12,17H,2,4-6,8-9,21H2,1H3,(H2,22,23);3,7,11-12,15H,1-2,4-6,8-9,22H2;1,4,8-10,15-16,26-27H,2-3,5-7,21H2;1,4,8-9,12H,2-3,5-7,10,22H2,(H2,23,24);1,4,8-10,15-16,26-27H,2-3,5-7,20H2,(H2,21,22)/t12-,14-;13-,18-;12-,17+;15-;10-,15+,16+;12-;10-,15+,16+/m1101010/s1
InChIKeyKFSJGPANCQTROT-NZYIKQCHSA-N
XLogP20.21
TPSA739.78 Ų
H-Bond Donors17
H-Bond Acceptors54
Rotatable Bonds22
Heavy Atoms194
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002940.09
LogP ≤ 520.21
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1054

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (2S,3S,4S)-4-amino-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decane-2,3-diol;(2S,4R)-4-amino-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methyl-8-azaspiro[4.5]decan-2-ol;4-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanyl-2-chloropyridine-3-carbonitrile;(4R)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine;(2S,4R)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine;(3S,4R)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-8-azaspiro[4.5]decan-4-amine;(2S,3S,4S)-4-amino-8-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decane-2,3-diol with MolForge

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Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S)-4-amino-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decane-2,3-diol;(2S,4R)-4-amino-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methyl-8-azaspiro[4.5]decan-2-ol;4-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanyl-2-chloropyridine-3-carbonitrile;(4R)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine;(2S,4R)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine;(3S,4R)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-8-azaspiro[4.5]decan-4-amine;(2S,3S,4S)-4-amino-8-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decane-2,3-diol?
The IUPAC name of (2S,3S,4S)-4-amino-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decane-2,3-diol;(2S,4R)-4-amino-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methyl-8-azaspiro[4.5]decan-2-ol;4-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanyl-2-chloropyridine-3-carbonitrile;(4R)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine;(2S,4R)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine;(3S,4R)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-8-azaspiro[4.5]decan-4-amine;(2S,3S,4S)-4-amino-8-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decane-2,3-diol (CID 159121241) is (2S,3S,4S)-4-amino-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decane-2,3-diol;(2S,4R)-4-amino-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methyl-8-azaspiro[4.5]decan-2-ol;4-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanyl-2-chloropyridine-3-carbonitrile;(4R)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine;(2S,4R)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine;(3S,4R)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-8-azaspiro[4.5]decan-4-amine;(2S,3S,4S)-4-amino-8-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decane-2,3-diol.
What is the SMILES notation for (2S,3S,4S)-4-amino-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decane-2,3-diol;(2S,4R)-4-amino-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methyl-8-azaspiro[4.5]decan-2-ol;4-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanyl-2-chloropyridine-3-carbonitrile;(4R)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine;(2S,4R)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine;(3S,4R)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-8-azaspiro[4.5]decan-4-amine;(2S,3S,4S)-4-amino-8-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decane-2,3-diol?
The canonical SMILES for (2S,3S,4S)-4-amino-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decane-2,3-diol;(2S,4R)-4-amino-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methyl-8-azaspiro[4.5]decan-2-ol;4-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanyl-2-chloropyridine-3-carbonitrile;(4R)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine;(2S,4R)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine;(3S,4R)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-8-azaspiro[4.5]decan-4-amine;(2S,3S,4S)-4-amino-8-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decane-2,3-diol is CO[C@@H]1C[C@@H](N)C2(CCN(c3cnc(Sc4ccnc(N)c4Cl)cn3)CC2)C1.C[C@@]1(O)C[C@@H](N)C2(CCN(c3cnc(Sc4ccnc(N)c4Cl)cn3)CC2)C1.C[C@H]1CCC2(CCN(c3cnc(Sc4ccnc(N)c4Cl)cn3)CC2)[C@@H]1N.N#Cc1c(Sc2cnc(N3CCC4(CCC[C@H]4N)CC3)cn2)ccnc1Cl.N[C@@H]1[C@H](O)[C@@H](O)CC12CCN(c1cnc(Sc3ccnc(Cl)c3Cl)cn1)CC2.Nc1nccc(Sc2cnc(N3CCC4(CC3)CC(F)(F)C[C@H]4N)cn2)c1Cl.Nc1nccc(Sc2cnc(N3CCC4(CC3)C[C@H](O)[C@@H](O)[C@H]4N)cn2)c1Cl.
What is the InChIKey of (2S,3S,4S)-4-amino-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decane-2,3-diol;(2S,4R)-4-amino-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methyl-8-azaspiro[4.5]decan-2-ol;4-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanyl-2-chloropyridine-3-carbonitrile;(4R)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine;(2S,4R)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine;(3S,4R)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-8-azaspiro[4.5]decan-4-amine;(2S,3S,4S)-4-amino-8-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decane-2,3-diol?
The InChIKey is KFSJGPANCQTROT-NZYIKQCHSA-N. The full InChI is InChI=1S/2C19H25ClN6OS.C19H25ClN6S.C19H21ClN6S.C18H21Cl2N5O2S.C18H21ClF2N6S.C18H23ClN6O2S/c1-27-12-8-14(21)19(9-12)3-6-26(7-4-19)15-10-25-16(11-24-15)28-13-2-5-23-18(22)17(13)20;1-18(27)8-13(21)19(11-18)3-6-26(7-4-19)14-9-25-15(10-24-14)28-12-2-5-23-17(22)16(12)20;1-12-2-4-19(17(12)21)5-8-26(9-6-19)14-10-25-15(11-24-14)27-13-3-7-23-18(22)16(13)20;20-18-13(10-21)14(3-7-23-18)27-17-12-24-16(11-25-17)26-8-5-19(6-9-26)4-1-2-15(19)22;19-14-11(1-4-22-17(14)20)28-13-9-23-12(8-24-13)25-5-2-18(3-6-25)7-10(26)15(27)16(18)21;19-15-11(1-4-24-16(15)23)28-14-9-25-13(8-26-14)27-5-2-17(3-6-27)10-18(20,21)7-12(17)22;19-14-11(1-4-22-17(14)21)28-13-9-23-12(8-24-13)25-5-2-18(3-6-25)7-10(26)15(27)16(18)20/h2,5,10-12,14H,3-4,6-9,21H2,1H3,(H2,22,23);2,5,9-10,13,27H,3-4,6-8,11,21H2,1H3,(H2,22,23);3,7,10-12,17H,2,4-6,8-9,21H2,1H3,(H2,22,23);3,7,11-12,15H,1-2,4-6,8-9,22H2;1,4,8-10,15-16,26-27H,2-3,5-7,21H2;1,4,8-9,12H,2-3,5-7,10,22H2,(H2,23,24);1,4,8-10,15-16,26-27H,2-3,5-7,20H2,(H2,21,22)/t12-,14-;13-,18-;12-,17+;15-;10-,15+,16+;12-;10-,15+,16+/m1101010/s1.
What are the key properties of (2S,3S,4S)-4-amino-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decane-2,3-diol;(2S,4R)-4-amino-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methyl-8-azaspiro[4.5]decan-2-ol;4-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanyl-2-chloropyridine-3-carbonitrile;(4R)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine;(2S,4R)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine;(3S,4R)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-8-azaspiro[4.5]decan-4-amine;(2S,3S,4S)-4-amino-8-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decane-2,3-diol?
(2S,3S,4S)-4-amino-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decane-2,3-diol;(2S,4R)-4-amino-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methyl-8-azaspiro[4.5]decan-2-ol;4-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanyl-2-chloropyridine-3-carbonitrile;(4R)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine;(2S,4R)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine;(3S,4R)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-8-azaspiro[4.5]decan-4-amine;(2S,3S,4S)-4-amino-8-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decane-2,3-diol has a molecular weight of 2940.09 g/mol, XLogP of 20.21, 22 rotatable bonds, 17 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S)-4-amino-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decane-2,3-diol;(2S,4R)-4-amino-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methyl-8-azaspiro[4.5]decan-2-ol;4-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanyl-2-chloropyridine-3-carbonitrile;(4R)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine;(2S,4R)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine;(3S,4R)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-8-azaspiro[4.5]decan-4-amine;(2S,3S,4S)-4-amino-8-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decane-2,3-diol is sourced from PubChem (CID 159121241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).