N-[(3'R,4S,6'R,7'S,8'S,9'Z,11'S)-7-chloro-7',8'-dihydroxy-11'-methyl-13',15'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-9,13,16(25),17,19(24)-pentaene]-13'-yl]-3-methoxy-1-methylpyrazole-4-carboxamide;N-[(3'R,4S,6'R,7'R,8'R,9'Z,11'S)-7-chloro-7',8'-dihydroxy-11'-methyl-13',15'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-9,13,16(25),17,19(24)-pentaene]-13'-yl]-3-methoxy-1-methylpyrazole-4-carboxamide;N-[(3'R,4S,6'R,7'S,8'S,9'Z,11'S)-7-chloro-7',8'-dimethoxy-11'-methyl-13',15'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-9,13,16(25),17,19(24)-pentaene]-13'-yl]-3-methoxy-1-methylpyrazole-4-carboxamide;N-[(3'R,4S,6'S,7'E,9'Z,11'S)-7-chloro-11'-methyl-13',15'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-7,9,13,16(25),17,19(24)-hexaene]-13'-yl]-3-methoxy-1-methylpyrazole-4-carboxamide

C150H178Cl4N20O26S4 — CID 159739705

About N-[(3'R,4S,6'R,7'S,8'S,9'Z,11'S)-7-chloro-7',8'-dihydroxy-11'-methyl-13',15'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-9,13,16(25),17,19(24)-pentaene]-13'-yl]-3-methoxy-1-methylpyrazole-4-carboxamide;N-[(3'R,4S,6'R,7'R,8'R,9'Z,11'S)-7-chloro-7',8'-dihydroxy-11'-methyl-13',15'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-9,13,16(25),17,19(24)-pentaene]-13'-yl]-3-methoxy-1-methylpyrazole-4-carboxamide;N-[(3'R,4S,6'R,7'S,8'S,9'Z,11'S)-7-chloro-7',8'-dimethoxy-11'-methyl-13',15'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-9,13,16(25),17,19(24)-pentaene]-13'-yl]-3-methoxy-1-methylpyrazole-4-carboxamide;N-[(3'R,4S,6'S,7'E,9'Z,11'S)-7-chloro-11'-methyl-13',15'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-7,9,13,16(25),17,19(24)-hexaene]-13'-yl]-3-methoxy-1-methylpyrazole-4-carboxamide

N-[(3'R,4S,6'R,7'S,8'S,9'Z,11'S)-7-chloro-7',8'-dihydroxy-11'-methyl-13',15'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-9,13,16(25),17,19(24)-pentaene]-13'-yl]-3-methoxy-1-methylpyrazole-4-carboxamide;N-[(3'R,4S,6'R,7'R,8'R,9'Z,11'S)-7-chloro-7',8'-dihydroxy-11'-methyl-13',15'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-9,13,16(25),17,19(24)-pentaene]-13'-yl]-3-methoxy-1-methylpyrazole-4-carboxamide;N-[(3'R,4S,6'R,7'S,8'S,9'Z,11'S)-7-chloro-7',8'-dimethoxy-11'-methyl-13',15'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-9,13,16(25),17,19(24)-pentaene]-13'-yl]-3-methoxy-1-methylpyrazole-4-carboxamide;N-[(3'R,4S,6'S,7'E,9'Z,11'S)-7-chloro-11'-methyl-13',15'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-7,9,13,16(25),17,19(24)-hexaene]-13'-yl]-3-methoxy-1-methylpyrazole-4-carboxamide (PubChem CID 159739705) has the molecular formula C150H178Cl4N20O26S4 and a molecular weight of 2947.27 g/mol. Its IUPAC name is N-[(3'R,4S,6'R,7'S,8'S,9'Z,11'S)-7-chloro-7',8'-dihydroxy-11'-methyl-13',15'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-9,13,16(25),17,19(24)-pentaene]-13'-yl]-3-methoxy-1-methylpyrazole-4-carboxamide;N-[(3'R,4S,6'R,7'R,8'R,9'Z,11'S)-7-chloro-7',8'-dihydroxy-11'-methyl-13',15'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-9,13,16(25),17,19(24)-pentaene]-13'-yl]-3-methoxy-1-methylpyrazole-4-carboxamide;N-[(3'R,4S,6'R,7'S,8'S,9'Z,11'S)-7-chloro-7',8'-dimethoxy-11'-methyl-13',15'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-9,13,16(25),17,19(24)-pentaene]-13'-yl]-3-methoxy-1-methylpyrazole-4-carboxamide;N-[(3'R,4S,6'S,7'E,9'Z,11'S)-7-chloro-11'-methyl-13',15'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-7,9,13,16(25),17,19(24)-hexaene]-13'-yl]-3-methoxy-1-methylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(3'R,4S,6'R,7'S,8'S,9'Z,11'S)-7-chloro-7',8'-dihydroxy-11'-methyl-13',15'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-9,13,16(25),17,19(24)-pentaene]-13'-yl]-3-methoxy-1-methylpyrazole-4-carboxamide;N-[(3'R,4S,6'R,7'R,8'R,9'Z,11'S)-7-chloro-7',8'-dihydroxy-11'-methyl-13',15'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-9,13,16(25),17,19(24)-pentaene]-13'-yl]-3-methoxy-1-methylpyrazole-4-carboxamide;N-[(3'R,4S,6'R,7'S,8'S,9'Z,11'S)-7-chloro-7',8'-dimethoxy-11'-methyl-13',15'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-9,13,16(25),17,19(24)-pentaene]-13'-yl]-3-methoxy-1-methylpyrazole-4-carboxamide;N-[(3'R,4S,6'S,7'E,9'Z,11'S)-7-chloro-11'-methyl-13',15'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-7,9,13,16(25),17,19(24)-hexaene]-13'-yl]-3-methoxy-1-methylpyrazole-4-carboxamide
• PubChem CID: 159739705
• Molecular Formula: C150H178Cl4N20O26S4
• Molecular Weight: 2947.27 g/mol
• Exact Mass: 2943.09
• IUPAC Name: N-[(3'R,4S,6'R,7'S,8'S,9'Z,11'S)-7-chloro-7',8'-dihydroxy-11'-methyl-13',15'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-9,13,16(25),17,19(24)-pentaene]-13'-yl]-3-methoxy-1-methylpyrazole-4-carboxamide;N-[(3'R,4S,6'R,7'R,8'R,9'Z,11'S)-7-chloro-7',8'-dihydroxy-11'-methyl-13',15'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-9,13,16(25),17,19(24)-pentaene]-13'-yl]-3-methoxy-1-methylpyrazole-4-carboxamide;N-[(3'R,4S,6'R,7'S,8'S,9'Z,11'S)-7-chloro-7',8'-dimethoxy-11'-methyl-13',15'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-9,13,16(25),17,19(24)-pentaene]-13'-yl]-3-methoxy-1-methylpyrazole-4-carboxamide;N-[(3'R,4S,6'S,7'E,9'Z,11'S)-7-chloro-11'-methyl-13',15'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-7,9,13,16(25),17,19(24)-hexaene]-13'-yl]-3-methoxy-1-methylpyrazole-4-carboxamide
• SMILES: COc1nn(C)cc1C(=O)NS1(=O)=NC(=O)c2ccc3c(c2)N(C[C@@H]2CC[C@H]2/C=C/C=C\[C@H](C)C1)C[C@@]1(CCCc2cc(Cl)ccc21)CO3.COc1nn(C)cc1C(=O)NS1(=O)=NC(=O)c2ccc3c(c2)N(C[C@@H]2CC[C@H]2[C@@H](O)[C@H](O)/C=C\[C@H](C)C1)C[C@@]1(CCCc2cc(Cl)ccc21)CO3.COc1nn(C)cc1C(=O)NS1(=O)=NC(=O)c2ccc3c(c2)N(C[C@@H]2CC[C@H]2[C@H](O)[C@@H](O)/C=C\[C@H](C)C1)C[C@@]1(CCCc2cc(Cl)ccc21)CO3.COc1nn(C)cc1C(=O)NS1(=O)=NC(=O)c2ccc3c(c2)N(C[C@@H]2CC[C@H]2[C@H](OC)[C@@H](OC)/C=C\[C@H](C)C1)C[C@@]1(CCCc2cc(Cl)ccc21)CO3
• InChI: InChI=1S/C39H48ClN5O7S.2C37H44ClN5O7S.C37H42ClN5O5S/c1-24-8-14-34(49-3)35(50-4)29-12-9-27(29)19-45-22-39(16-6-7-25-17-28(40)11-13-31(25)39)23-52-33-15-10-26(18-32(33)45)36(46)42-53(48,21-24)43-37(47)30-20-44(2)41-38(30)51-5;2*1-22-6-12-31(44)33(45)27-10-7-25(27)17-43-20-37(14-4-5-23-15-26(38)9-11-29(23)37)21-50-32-13-8-24(16-30(32)43)34(46)40-51(48,19-22)41-35(47)28-18-42(2)39-36(28)49-3;1-24-7-4-5-8-25-10-11-28(25)19-43-22-37(16-6-9-26-17-29(38)13-14-31(26)37)23-48-33-15-12-27(18-32(33)43)34(44)40-49(46,21-24)41-35(45)30-20-42(2)39-36(30)47-3/h8,10-11,13-15,17-18,20,24,27,29,34-35H,6-7,9,12,16,19,21-23H2,1-5H3,(H,42,43,46,47,48);2*6,8-9,11-13,15-16,18,22,25,27,31,33,44-45H,4-5,7,10,14,17,19-21H2,1-3H3,(H,40,41,46,47,48);4-5,7-8,12-15,17-18,20,24-25,28H,6,9-11,16,19,21-23H2,1-3H3,(H,40,41,44,45,46)/b14-8-;2*12-6-;7-4-,8-5+/t24-,27-,29+,34-,35-,39-,53?;22-,25-,27+,31+,33+,37-,51?;22-,25-,27+,31-,33-,37-,51?;24-,25+,28-,37-,49?/m0000/s1
• InChIKey: NCHIIGSFSPGCGD-XPEOTPQTSA-N
• XLogP: 20.99
• TPSA: 559.86 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 38
• Rotatable Bonds: 14
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2947.27
LogP ≤ 5	20.99
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(3'R,4S,6'R,7'S,8'S,9'Z,11'S)-7-chloro-7',8'-dihydroxy-11'-methyl-13',15'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-9,13,16(25),17,19(24)-pentaene]-13'-yl]-3-methoxy-1-methylpyrazole-4-carboxamide;N-[(3'R,4S,6'R,7'R,8'R,9'Z,11'S)-7-chloro-7',8'-dihydroxy-11'-methyl-13',15'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-9,13,16(25),17,19(24)-pentaene]-13'-yl]-3-methoxy-1-methylpyrazole-4-carboxamide;N-[(3'R,4S,6'R,7'S,8'S,9'Z,11'S)-7-chloro-7',8'-dimethoxy-11'-methyl-13',15'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-9,13,16(25),17,19(24)-pentaene]-13'-yl]-3-methoxy-1-methylpyrazole-4-carboxamide;N-[(3'R,4S,6'S,7'E,9'Z,11'S)-7-chloro-11'-methyl-13',15'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-7,9,13,16(25),17,19(24)-hexaene]-13'-yl]-3-methoxy-1-methylpyrazole-4-carboxamide?

The IUPAC name of N-[(3'R,4S,6'R,7'S,8'S,9'Z,11'S)-7-chloro-7',8'-dihydroxy-11'-methyl-13',15'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-9,13,16(25),17,19(24)-pentaene]-13'-yl]-3-methoxy-1-methylpyrazole-4-carboxamide;N-[(3'R,4S,6'R,7'R,8'R,9'Z,11'S)-7-chloro-7',8'-dihydroxy-11'-methyl-13',15'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-9,13,16(25),17,19(24)-pentaene]-13'-yl]-3-methoxy-1-methylpyrazole-4-carboxamide;N-[(3'R,4S,6'R,7'S,8'S,9'Z,11'S)-7-chloro-7',8'-dimethoxy-11'-methyl-13',15'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-9,13,16(25),17,19(24)-pentaene]-13'-yl]-3-methoxy-1-methylpyrazole-4-carboxamide;N-[(3'R,4S,6'S,7'E,9'Z,11'S)-7-chloro-11'-methyl-13',15'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-7,9,13,16(25),17,19(24)-hexaene]-13'-yl]-3-methoxy-1-methylpyrazole-4-carboxamide (CID 159739705) is N-[(3'R,4S,6'R,7'S,8'S,9'Z,11'S)-7-chloro-7',8'-dihydroxy-11'-methyl-13',15'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-9,13,16(25),17,19(24)-pentaene]-13'-yl]-3-methoxy-1-methylpyrazole-4-carboxamide;N-[(3'R,4S,6'R,7'R,8'R,9'Z,11'S)-7-chloro-7',8'-dihydroxy-11'-methyl-13',15'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-9,13,16(25),17,19(24)-pentaene]-13'-yl]-3-methoxy-1-methylpyrazole-4-carboxamide;N-[(3'R,4S,6'R,7'S,8'S,9'Z,11'S)-7-chloro-7',8'-dimethoxy-11'-methyl-13',15'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-9,13,16(25),17,19(24)-pentaene]-13'-yl]-3-methoxy-1-methylpyrazole-4-carboxamide;N-[(3'R,4S,6'S,7'E,9'Z,11'S)-7-chloro-11'-methyl-13',15'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-7,9,13,16(25),17,19(24)-hexaene]-13'-yl]-3-methoxy-1-methylpyrazole-4-carboxamide.

What is the SMILES notation for N-[(3'R,4S,6'R,7'S,8'S,9'Z,11'S)-7-chloro-7',8'-dihydroxy-11'-methyl-13',15'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-9,13,16(25),17,19(24)-pentaene]-13'-yl]-3-methoxy-1-methylpyrazole-4-carboxamide;N-[(3'R,4S,6'R,7'R,8'R,9'Z,11'S)-7-chloro-7',8'-dihydroxy-11'-methyl-13',15'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-9,13,16(25),17,19(24)-pentaene]-13'-yl]-3-methoxy-1-methylpyrazole-4-carboxamide;N-[(3'R,4S,6'R,7'S,8'S,9'Z,11'S)-7-chloro-7',8'-dimethoxy-11'-methyl-13',15'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-9,13,16(25),17,19(24)-pentaene]-13'-yl]-3-methoxy-1-methylpyrazole-4-carboxamide;N-[(3'R,4S,6'S,7'E,9'Z,11'S)-7-chloro-11'-methyl-13',15'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-7,9,13,16(25),17,19(24)-hexaene]-13'-yl]-3-methoxy-1-methylpyrazole-4-carboxamide?

The canonical SMILES for N-[(3'R,4S,6'R,7'S,8'S,9'Z,11'S)-7-chloro-7',8'-dihydroxy-11'-methyl-13',15'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-9,13,16(25),17,19(24)-pentaene]-13'-yl]-3-methoxy-1-methylpyrazole-4-carboxamide;N-[(3'R,4S,6'R,7'R,8'R,9'Z,11'S)-7-chloro-7',8'-dihydroxy-11'-methyl-13',15'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-9,13,16(25),17,19(24)-pentaene]-13'-yl]-3-methoxy-1-methylpyrazole-4-carboxamide;N-[(3'R,4S,6'R,7'S,8'S,9'Z,11'S)-7-chloro-7',8'-dimethoxy-11'-methyl-13',15'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-9,13,16(25),17,19(24)-pentaene]-13'-yl]-3-methoxy-1-methylpyrazole-4-carboxamide;N-[(3'R,4S,6'S,7'E,9'Z,11'S)-7-chloro-11'-methyl-13',15'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-7,9,13,16(25),17,19(24)-hexaene]-13'-yl]-3-methoxy-1-methylpyrazole-4-carboxamide is COc1nn(C)cc1C(=O)NS1(=O)=NC(=O)c2ccc3c(c2)N(C[C@@H]2CC[C@H]2/C=C/C=C\[C@H](C)C1)C[C@@]1(CCCc2cc(Cl)ccc21)CO3.COc1nn(C)cc1C(=O)NS1(=O)=NC(=O)c2ccc3c(c2)N(C[C@@H]2CC[C@H]2[C@@H](O)[C@H](O)/C=C\[C@H](C)C1)C[C@@]1(CCCc2cc(Cl)ccc21)CO3.COc1nn(C)cc1C(=O)NS1(=O)=NC(=O)c2ccc3c(c2)N(C[C@@H]2CC[C@H]2[C@H](O)[C@@H](O)/C=C\[C@H](C)C1)C[C@@]1(CCCc2cc(Cl)ccc21)CO3.COc1nn(C)cc1C(=O)NS1(=O)=NC(=O)c2ccc3c(c2)N(C[C@@H]2CC[C@H]2[C@H](OC)[C@@H](OC)/C=C\[C@H](C)C1)C[C@@]1(CCCc2cc(Cl)ccc21)CO3.

What is the InChIKey of N-[(3'R,4S,6'R,7'S,8'S,9'Z,11'S)-7-chloro-7',8'-dihydroxy-11'-methyl-13',15'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-9,13,16(25),17,19(24)-pentaene]-13'-yl]-3-methoxy-1-methylpyrazole-4-carboxamide;N-[(3'R,4S,6'R,7'R,8'R,9'Z,11'S)-7-chloro-7',8'-dihydroxy-11'-methyl-13',15'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-9,13,16(25),17,19(24)-pentaene]-13'-yl]-3-methoxy-1-methylpyrazole-4-carboxamide;N-[(3'R,4S,6'R,7'S,8'S,9'Z,11'S)-7-chloro-7',8'-dimethoxy-11'-methyl-13',15'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-9,13,16(25),17,19(24)-pentaene]-13'-yl]-3-methoxy-1-methylpyrazole-4-carboxamide;N-[(3'R,4S,6'S,7'E,9'Z,11'S)-7-chloro-11'-methyl-13',15'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-7,9,13,16(25),17,19(24)-hexaene]-13'-yl]-3-methoxy-1-methylpyrazole-4-carboxamide?

The InChIKey is NCHIIGSFSPGCGD-XPEOTPQTSA-N. The full InChI is InChI=1S/C39H48ClN5O7S.2C37H44ClN5O7S.C37H42ClN5O5S/c1-24-8-14-34(49-3)35(50-4)29-12-9-27(29)19-45-22-39(16-6-7-25-17-28(40)11-13-31(25)39)23-52-33-15-10-26(18-32(33)45)36(46)42-53(48,21-24)43-37(47)30-20-44(2)41-38(30)51-5;2*1-22-6-12-31(44)33(45)27-10-7-25(27)17-43-20-37(14-4-5-23-15-26(38)9-11-29(23)37)21-50-32-13-8-24(16-30(32)43)34(46)40-51(48,19-22)41-35(47)28-18-42(2)39-36(28)49-3;1-24-7-4-5-8-25-10-11-28(25)19-43-22-37(16-6-9-26-17-29(38)13-14-31(26)37)23-48-33-15-12-27(18-32(33)43)34(44)40-49(46,21-24)41-35(45)30-20-42(2)39-36(30)47-3/h8,10-11,13-15,17-18,20,24,27,29,34-35H,6-7,9,12,16,19,21-23H2,1-5H3,(H,42,43,46,47,48);2*6,8-9,11-13,15-16,18,22,25,27,31,33,44-45H,4-5,7,10,14,17,19-21H2,1-3H3,(H,40,41,46,47,48);4-5,7-8,12-15,17-18,20,24-25,28H,6,9-11,16,19,21-23H2,1-3H3,(H,40,41,44,45,46)/b14-8-;2*12-6-;7-4-,8-5+/t24-,27-,29+,34-,35-,39-,53?;22-,25-,27+,31+,33+,37-,51?;22-,25-,27+,31-,33-,37-,51?;24-,25+,28-,37-,49?/m0000/s1.

What are the key properties of N-[(3'R,4S,6'R,7'S,8'S,9'Z,11'S)-7-chloro-7',8'-dihydroxy-11'-methyl-13',15'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-9,13,16(25),17,19(24)-pentaene]-13'-yl]-3-methoxy-1-methylpyrazole-4-carboxamide;N-[(3'R,4S,6'R,7'R,8'R,9'Z,11'S)-7-chloro-7',8'-dihydroxy-11'-methyl-13',15'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-9,13,16(25),17,19(24)-pentaene]-13'-yl]-3-methoxy-1-methylpyrazole-4-carboxamide;N-[(3'R,4S,6'R,7'S,8'S,9'Z,11'S)-7-chloro-7',8'-dimethoxy-11'-methyl-13',15'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-9,13,16(25),17,19(24)-pentaene]-13'-yl]-3-methoxy-1-methylpyrazole-4-carboxamide;N-[(3'R,4S,6'S,7'E,9'Z,11'S)-7-chloro-11'-methyl-13',15'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-7,9,13,16(25),17,19(24)-hexaene]-13'-yl]-3-methoxy-1-methylpyrazole-4-carboxamide?

N-[(3'R,4S,6'R,7'S,8'S,9'Z,11'S)-7-chloro-7',8'-dihydroxy-11'-methyl-13',15'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-9,13,16(25),17,19(24)-pentaene]-13'-yl]-3-methoxy-1-methylpyrazole-4-carboxamide;N-[(3'R,4S,6'R,7'R,8'R,9'Z,11'S)-7-chloro-7',8'-dihydroxy-11'-methyl-13',15'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-9,13,16(25),17,19(24)-pentaene]-13'-yl]-3-methoxy-1-methylpyrazole-4-carboxamide;N-[(3'R,4S,6'R,7'S,8'S,9'Z,11'S)-7-chloro-7',8'-dimethoxy-11'-methyl-13',15'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-9,13,16(25),17,19(24)-pentaene]-13'-yl]-3-methoxy-1-methylpyrazole-4-carboxamide;N-[(3'R,4S,6'S,7'E,9'Z,11'S)-7-chloro-11'-methyl-13',15'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-7,9,13,16(25),17,19(24)-hexaene]-13'-yl]-3-methoxy-1-methylpyrazole-4-carboxamide has a molecular weight of 2947.27 g/mol, XLogP of 20.99, 14 rotatable bonds, 8 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3'R,4S,6'R,7'S,8'S,9'Z,11'S)-7-chloro-7',8'-dihydroxy-11'-methyl-13',15'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-9,13,16(25),17,19(24)-pentaene]-13'-yl]-3-methoxy-1-methylpyrazole-4-carboxamide;N-[(3'R,4S,6'R,7'R,8'R,9'Z,11'S)-7-chloro-7',8'-dihydroxy-11'-methyl-13',15'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-9,13,16(25),17,19(24)-pentaene]-13'-yl]-3-methoxy-1-methylpyrazole-4-carboxamide;N-[(3'R,4S,6'R,7'S,8'S,9'Z,11'S)-7-chloro-7',8'-dimethoxy-11'-methyl-13',15'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-9,13,16(25),17,19(24)-pentaene]-13'-yl]-3-methoxy-1-methylpyrazole-4-carboxamide;N-[(3'R,4S,6'S,7'E,9'Z,11'S)-7-chloro-11'-methyl-13',15'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-7,9,13,16(25),17,19(24)-hexaene]-13'-yl]-3-methoxy-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 159739705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).