3,5-diamino-6-chloro-N-[8-[1-[2-(4-methylphenyl)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-phenoxyethyl)indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3-[4-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-en-8-yl]-3-oxopropyl]phenyl]propanoic acid;ethyl 3-[4-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-en-8-yl]-3-oxopropyl]phenyl]propanoate;methyl 3-[4-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-en-8-yl]-3-oxopropyl]phenyl]propanoate;propyl 3-[4-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-en-8-yl]-3-oxopropyl]phenyl]propanoate

C164H193Cl6N47O21 — CID 157231810

IUPAC3,5-diamino-6-chloro-N-[8-[1-[2-(4-methylphenyl)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-phenoxyethyl)indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3-[4-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-en-8-yl]-3-oxopropyl]phenyl]propanoic acid;ethyl 3-[4-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-en-8-yl]-3-oxopropyl]phenyl]propanoate;methyl 3-[4-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-en-8-yl]-3-oxopropyl]phenyl]propanoate;propyl 3-[4-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-en-8-yl]-3-oxopropyl]phenyl]propanoate
SMILESCCCOC(=O)CCc1ccc(CCC(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)cc1.CCOC(=O)CCc1ccc(CCC(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)cc1.COC(=O)CCc1ccc(CCC(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)cc1.Cc1ccc(CCn2ccc3c(C(=O)N4CCC5(CCC(NC(=O)c6nc(Cl)c(N)nc6N)=N5)CC4)cccc32)cc1.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)CCc2ccc(CCC(=O)O)cc2)CC3)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)c2cccc4c2ccn4CCOc2ccccc2)CC3)nc1Cl
InChIInChI=1S/C31H33ClN8O2.C30H31ClN8O3.C27H35ClN8O4.C26H33ClN8O4.C25H31ClN8O4.C25H30ClN7O4/c1-19-5-7-20(8-6-19)10-15-39-16-11-21-22(3-2-4-23(21)39)30(42)40-17-13-31(14-18-40)12-9-24(38-31)35-29(41)25-27(33)37-28(34)26(32)36-25;31-25-27(33)36-26(32)24(35-25)28(40)34-23-9-11-30(37-23)12-15-39(16-13-30)29(41)21-7-4-8-22-20(21)10-14-38(22)17-18-42-19-5-2-1-3-6-19;1-2-15-40-20(38)10-8-18-5-3-17(4-6-18)7-9-19(37)36-13-11-27(12-14-36)16-31-26(35-27)34-25(39)21-23(29)33-24(30)22(28)32-21;1-2-39-19(37)10-8-17-5-3-16(4-6-17)7-9-18(36)35-13-11-26(12-14-35)15-30-25(34-26)33-24(38)20-22(28)32-23(29)21(27)31-20;1-38-18(36)9-7-16-4-2-15(3-5-16)6-8-17(35)34-12-10-25(11-13-34)14-29-24(33-25)32-23(37)19-21(27)31-22(28)20(26)30-19;26-21-23(28)31-22(27)20(30-21)24(37)29-17-9-10-25(32-17)11-13-33(14-12-25)18(34)7-5-15-1-3-16(4-2-15)6-8-19(35)36/h2-8,11,16H,9-10,12-15,17-18H2,1H3,(H4,33,34,37)(H,35,38,41);1-8,10,14H,9,11-13,15-18H2,(H4,32,33,36)(H,34,37,40);3-6H,2,7-16H2,1H3,(H4,29,30,33)(H2,31,34,35,39);3-6H,2,7-15H2,1H3,(H4,28,29,32)(H2,30,33,34,38);2-5H,6-14H2,1H3,(H4,27,28,31)(H2,29,32,33,37);1-4H,5-14H2,(H,35,36)(H4,27,28,31)(H,29,32,37)
InChIKeyAUERJCRTEBQGMA-UHFFFAOYSA-N
MW3371.37 g/mol
LogP14.97
Rot. Bonds42

About 3,5-diamino-6-chloro-N-[8-[1-[2-(4-methylphenyl)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-phenoxyethyl)indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3-[4-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-en-8-yl]-3-oxopropyl]phenyl]propanoic acid;ethyl 3-[4-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-en-8-yl]-3-oxopropyl]phenyl]propanoate;methyl 3-[4-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-en-8-yl]-3-oxopropyl]phenyl]propanoate;propyl 3-[4-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-en-8-yl]-3-oxopropyl]phenyl]propanoate

3,5-diamino-6-chloro-N-[8-[1-[2-(4-methylphenyl)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-phenoxyethyl)indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3-[4-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-en-8-yl]-3-oxopropyl]phenyl]propanoic acid;ethyl 3-[4-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-en-8-yl]-3-oxopropyl]phenyl]propanoate;methyl 3-[4-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-en-8-yl]-3-oxopropyl]phenyl]propanoate;propyl 3-[4-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-en-8-yl]-3-oxopropyl]phenyl]propanoate (PubChem CID 157231810) has the molecular formula C164H193Cl6N47O21 and a molecular weight of 3371.37 g/mol. Its IUPAC name is 3,5-diamino-6-chloro-N-[8-[1-[2-(4-methylphenyl)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-phenoxyethyl)indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3-[4-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-en-8-yl]-3-oxopropyl]phenyl]propanoic acid;ethyl 3-[4-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-en-8-yl]-3-oxopropyl]phenyl]propanoate;methyl 3-[4-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-en-8-yl]-3-oxopropyl]phenyl]propanoate;propyl 3-[4-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-en-8-yl]-3-oxopropyl]phenyl]propanoate.

Molecular Properties

Compound Name3,5-diamino-6-chloro-N-[8-[1-[2-(4-methylphenyl)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-phenoxyethyl)indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3-[4-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-en-8-yl]-3-oxopropyl]phenyl]propanoic acid;ethyl 3-[4-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-en-8-yl]-3-oxopropyl]phenyl]propanoate;methyl 3-[4-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-en-8-yl]-3-oxopropyl]phenyl]propanoate;propyl 3-[4-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-en-8-yl]-3-oxopropyl]phenyl]propanoate
PubChem CID157231810
Molecular FormulaC164H193Cl6N47O21
Molecular Weight3371.37 g/mol
Exact Mass3366.36
IUPAC Name3,5-diamino-6-chloro-N-[8-[1-[2-(4-methylphenyl)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-phenoxyethyl)indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3-[4-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-en-8-yl]-3-oxopropyl]phenyl]propanoic acid;ethyl 3-[4-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-en-8-yl]-3-oxopropyl]phenyl]propanoate;methyl 3-[4-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-en-8-yl]-3-oxopropyl]phenyl]propanoate;propyl 3-[4-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-en-8-yl]-3-oxopropyl]phenyl]propanoate
SMILESCCCOC(=O)CCc1ccc(CCC(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)cc1.CCOC(=O)CCc1ccc(CCC(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)cc1.COC(=O)CCc1ccc(CCC(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)cc1.Cc1ccc(CCn2ccc3c(C(=O)N4CCC5(CCC(NC(=O)c6nc(Cl)c(N)nc6N)=N5)CC4)cccc32)cc1.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)CCc2ccc(CCC(=O)O)cc2)CC3)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)c2cccc4c2ccn4CCOc2ccccc2)CC3)nc1Cl
InChIInChI=1S/C31H33ClN8O2.C30H31ClN8O3.C27H35ClN8O4.C26H33ClN8O4.C25H31ClN8O4.C25H30ClN7O4/c1-19-5-7-20(8-6-19)10-15-39-16-11-21-22(3-2-4-23(21)39)30(42)40-17-13-31(14-18-40)12-9-24(38-31)35-29(41)25-27(33)37-28(34)26(32)36-25;31-25-27(33)36-26(32)24(35-25)28(40)34-23-9-11-30(37-23)12-15-39(16-13-30)29(41)21-7-4-8-22-20(21)10-14-38(22)17-18-42-19-5-2-1-3-6-19;1-2-15-40-20(38)10-8-18-5-3-17(4-6-18)7-9-19(37)36-13-11-27(12-14-36)16-31-26(35-27)34-25(39)21-23(29)33-24(30)22(28)32-21;1-2-39-19(37)10-8-17-5-3-16(4-6-17)7-9-18(36)35-13-11-26(12-14-35)15-30-25(34-26)33-24(38)20-22(28)32-23(29)21(27)31-20;1-38-18(36)9-7-16-4-2-15(3-5-16)6-8-17(35)34-12-10-25(11-13-34)14-29-24(33-25)32-23(37)19-21(27)31-22(28)20(26)30-19;26-21-23(28)31-22(27)20(30-21)24(37)29-17-9-10-25(32-17)11-13-33(14-12-25)18(34)7-5-15-1-3-16(4-2-15)6-8-19(35)36/h2-8,11,16H,9-10,12-15,17-18H2,1H3,(H4,33,34,37)(H,35,38,41);1-8,10,14H,9,11-13,15-18H2,(H4,32,33,36)(H,34,37,40);3-6H,2,7-16H2,1H3,(H4,29,30,33)(H2,31,34,35,39);3-6H,2,7-15H2,1H3,(H4,28,29,32)(H2,30,33,34,38);2-5H,6-14H2,1H3,(H4,27,28,31)(H2,29,32,33,37);1-4H,5-14H2,(H,35,36)(H4,27,28,31)(H,29,32,37)
InChIKeyAUERJCRTEBQGMA-UHFFFAOYSA-N
XLogP14.97
TPSA1008.92 Ų
H-Bond Donors22
H-Bond Acceptors55
Rotatable Bonds42
Heavy Atoms238
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003371.37
LogP ≤ 514.97
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1055

Computed Properties (RDKit)

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

Analyze 3,5-diamino-6-chloro-N-[8-[1-[2-(4-methylphenyl)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-phenoxyethyl)indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3-[4-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-en-8-yl]-3-oxopropyl]phenyl]propanoic acid;ethyl 3-[4-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-en-8-yl]-3-oxopropyl]phenyl]propanoate;methyl 3-[4-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-en-8-yl]-3-oxopropyl]phenyl]propanoate;propyl 3-[4-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-en-8-yl]-3-oxopropyl]phenyl]propanoate with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-6-chloro-N-[8-[1-[2-(4-methylphenyl)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-phenoxyethyl)indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3-[4-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-en-8-yl]-3-oxopropyl]phenyl]propanoic acid;ethyl 3-[4-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-en-8-yl]-3-oxopropyl]phenyl]propanoate;methyl 3-[4-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-en-8-yl]-3-oxopropyl]phenyl]propanoate;propyl 3-[4-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-en-8-yl]-3-oxopropyl]phenyl]propanoate?
The IUPAC name of 3,5-diamino-6-chloro-N-[8-[1-[2-(4-methylphenyl)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-phenoxyethyl)indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3-[4-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-en-8-yl]-3-oxopropyl]phenyl]propanoic acid;ethyl 3-[4-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-en-8-yl]-3-oxopropyl]phenyl]propanoate;methyl 3-[4-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-en-8-yl]-3-oxopropyl]phenyl]propanoate;propyl 3-[4-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-en-8-yl]-3-oxopropyl]phenyl]propanoate (CID 157231810) is 3,5-diamino-6-chloro-N-[8-[1-[2-(4-methylphenyl)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-phenoxyethyl)indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3-[4-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-en-8-yl]-3-oxopropyl]phenyl]propanoic acid;ethyl 3-[4-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-en-8-yl]-3-oxopropyl]phenyl]propanoate;methyl 3-[4-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-en-8-yl]-3-oxopropyl]phenyl]propanoate;propyl 3-[4-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-en-8-yl]-3-oxopropyl]phenyl]propanoate.
What is the SMILES notation for 3,5-diamino-6-chloro-N-[8-[1-[2-(4-methylphenyl)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-phenoxyethyl)indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3-[4-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-en-8-yl]-3-oxopropyl]phenyl]propanoic acid;ethyl 3-[4-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-en-8-yl]-3-oxopropyl]phenyl]propanoate;methyl 3-[4-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-en-8-yl]-3-oxopropyl]phenyl]propanoate;propyl 3-[4-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-en-8-yl]-3-oxopropyl]phenyl]propanoate?
The canonical SMILES for 3,5-diamino-6-chloro-N-[8-[1-[2-(4-methylphenyl)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-phenoxyethyl)indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3-[4-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-en-8-yl]-3-oxopropyl]phenyl]propanoic acid;ethyl 3-[4-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-en-8-yl]-3-oxopropyl]phenyl]propanoate;methyl 3-[4-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-en-8-yl]-3-oxopropyl]phenyl]propanoate;propyl 3-[4-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-en-8-yl]-3-oxopropyl]phenyl]propanoate is CCCOC(=O)CCc1ccc(CCC(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)cc1.CCOC(=O)CCc1ccc(CCC(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)cc1.COC(=O)CCc1ccc(CCC(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)cc1.Cc1ccc(CCn2ccc3c(C(=O)N4CCC5(CCC(NC(=O)c6nc(Cl)c(N)nc6N)=N5)CC4)cccc32)cc1.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)CCc2ccc(CCC(=O)O)cc2)CC3)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)c2cccc4c2ccn4CCOc2ccccc2)CC3)nc1Cl.
What is the InChIKey of 3,5-diamino-6-chloro-N-[8-[1-[2-(4-methylphenyl)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-phenoxyethyl)indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3-[4-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-en-8-yl]-3-oxopropyl]phenyl]propanoic acid;ethyl 3-[4-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-en-8-yl]-3-oxopropyl]phenyl]propanoate;methyl 3-[4-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-en-8-yl]-3-oxopropyl]phenyl]propanoate;propyl 3-[4-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-en-8-yl]-3-oxopropyl]phenyl]propanoate?
The InChIKey is AUERJCRTEBQGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33ClN8O2.C30H31ClN8O3.C27H35ClN8O4.C26H33ClN8O4.C25H31ClN8O4.C25H30ClN7O4/c1-19-5-7-20(8-6-19)10-15-39-16-11-21-22(3-2-4-23(21)39)30(42)40-17-13-31(14-18-40)12-9-24(38-31)35-29(41)25-27(33)37-28(34)26(32)36-25;31-25-27(33)36-26(32)24(35-25)28(40)34-23-9-11-30(37-23)12-15-39(16-13-30)29(41)21-7-4-8-22-20(21)10-14-38(22)17-18-42-19-5-2-1-3-6-19;1-2-15-40-20(38)10-8-18-5-3-17(4-6-18)7-9-19(37)36-13-11-27(12-14-36)16-31-26(35-27)34-25(39)21-23(29)33-24(30)22(28)32-21;1-2-39-19(37)10-8-17-5-3-16(4-6-17)7-9-18(36)35-13-11-26(12-14-35)15-30-25(34-26)33-24(38)20-22(28)32-23(29)21(27)31-20;1-38-18(36)9-7-16-4-2-15(3-5-16)6-8-17(35)34-12-10-25(11-13-34)14-29-24(33-25)32-23(37)19-21(27)31-22(28)20(26)30-19;26-21-23(28)31-22(27)20(30-21)24(37)29-17-9-10-25(32-17)11-13-33(14-12-25)18(34)7-5-15-1-3-16(4-2-15)6-8-19(35)36/h2-8,11,16H,9-10,12-15,17-18H2,1H3,(H4,33,34,37)(H,35,38,41);1-8,10,14H,9,11-13,15-18H2,(H4,32,33,36)(H,34,37,40);3-6H,2,7-16H2,1H3,(H4,29,30,33)(H2,31,34,35,39);3-6H,2,7-15H2,1H3,(H4,28,29,32)(H2,30,33,34,38);2-5H,6-14H2,1H3,(H4,27,28,31)(H2,29,32,33,37);1-4H,5-14H2,(H,35,36)(H4,27,28,31)(H,29,32,37).
What are the key properties of 3,5-diamino-6-chloro-N-[8-[1-[2-(4-methylphenyl)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-phenoxyethyl)indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3-[4-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-en-8-yl]-3-oxopropyl]phenyl]propanoic acid;ethyl 3-[4-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-en-8-yl]-3-oxopropyl]phenyl]propanoate;methyl 3-[4-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-en-8-yl]-3-oxopropyl]phenyl]propanoate;propyl 3-[4-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-en-8-yl]-3-oxopropyl]phenyl]propanoate?
3,5-diamino-6-chloro-N-[8-[1-[2-(4-methylphenyl)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-phenoxyethyl)indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3-[4-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-en-8-yl]-3-oxopropyl]phenyl]propanoic acid;ethyl 3-[4-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-en-8-yl]-3-oxopropyl]phenyl]propanoate;methyl 3-[4-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-en-8-yl]-3-oxopropyl]phenyl]propanoate;propyl 3-[4-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-en-8-yl]-3-oxopropyl]phenyl]propanoate has a molecular weight of 3371.37 g/mol, XLogP of 14.97, 42 rotatable bonds, 22 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-6-chloro-N-[8-[1-[2-(4-methylphenyl)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-phenoxyethyl)indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3-[4-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-en-8-yl]-3-oxopropyl]phenyl]propanoic acid;ethyl 3-[4-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-en-8-yl]-3-oxopropyl]phenyl]propanoate;methyl 3-[4-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-en-8-yl]-3-oxopropyl]phenyl]propanoate;propyl 3-[4-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-en-8-yl]-3-oxopropyl]phenyl]propanoate is sourced from PubChem (CID 157231810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).