3,5-diamino-6-chloro-N-[8-[1-[2-(4-methylphenyl)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-phenoxyethyl)indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;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]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

C161H190Cl6N50O21 — CID 157354909

IUPAC3,5-diamino-6-chloro-N-[8-[1-[2-(4-methylphenyl)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-phenoxyethyl)indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;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]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(CC4)CN=C(NC(=O)c4nc(Cl)c(N)nc4N)N5)cccc32)cc1.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)CCc4ccc(CCC(=O)O)cc4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4cccc5c4ccn5CCOc4ccccc4)CC3)N2)nc1Cl
InChIInChI=1S/C30H32ClN9O2.C29H30ClN9O3.C27H35ClN8O4.C26H33ClN8O4.C25H31ClN8O4.C24H29ClN8O4/c1-18-5-7-19(8-6-18)9-13-39-14-10-20-21(3-2-4-22(20)39)28(42)40-15-11-30(12-16-40)17-34-29(38-30)37-27(41)23-25(32)36-26(33)24(31)35-23;30-23-25(32)35-24(31)22(34-23)26(40)36-28-33-17-29(37-28)10-13-39(14-11-29)27(41)20-7-4-8-21-19(20)9-12-38(21)15-16-42-18-5-2-1-3-6-18;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;25-19-21(27)30-20(26)18(29-19)22(37)31-23-28-13-24(32-23)9-11-33(12-10-24)16(34)7-5-14-1-3-15(4-2-14)6-8-17(35)36/h2-8,10,14H,9,11-13,15-17H2,1H3,(H4,32,33,36)(H2,34,37,38,41);1-9,12H,10-11,13-17H2,(H4,31,32,35)(H2,33,36,37,40);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,5-13H2,(H,35,36)(H4,26,27,30)(H2,28,31,32,37)
InChIKeyBHYVCZBCIMUOAD-UHFFFAOYSA-N
MW3374.34 g/mol
LogP11.27
Rot. Bonds42

About 3,5-diamino-6-chloro-N-[8-[1-[2-(4-methylphenyl)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-phenoxyethyl)indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;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]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]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-phenoxyethyl)indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;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]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 157354909) has the molecular formula C161H190Cl6N50O21 and a molecular weight of 3374.34 g/mol. Its IUPAC name is 3,5-diamino-6-chloro-N-[8-[1-[2-(4-methylphenyl)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-phenoxyethyl)indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;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]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]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-phenoxyethyl)indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;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]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 CID157354909
Molecular FormulaC161H190Cl6N50O21
Molecular Weight3374.34 g/mol
Exact Mass3369.35
IUPAC Name3,5-diamino-6-chloro-N-[8-[1-[2-(4-methylphenyl)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-phenoxyethyl)indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;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]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(CC4)CN=C(NC(=O)c4nc(Cl)c(N)nc4N)N5)cccc32)cc1.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)CCc4ccc(CCC(=O)O)cc4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4cccc5c4ccn5CCOc4ccccc4)CC3)N2)nc1Cl
InChIInChI=1S/C30H32ClN9O2.C29H30ClN9O3.C27H35ClN8O4.C26H33ClN8O4.C25H31ClN8O4.C24H29ClN8O4/c1-18-5-7-19(8-6-18)9-13-39-14-10-20-21(3-2-4-22(20)39)28(42)40-15-11-30(12-16-40)17-34-29(38-30)37-27(41)23-25(32)36-26(33)24(31)35-23;30-23-25(32)35-24(31)22(34-23)26(40)36-28-33-17-29(37-28)10-13-39(14-11-29)27(41)20-7-4-8-21-19(20)9-12-38(21)15-16-42-18-5-2-1-3-6-18;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;25-19-21(27)30-20(26)18(29-19)22(37)31-23-28-13-24(32-23)9-11-33(12-10-24)16(34)7-5-14-1-3-15(4-2-14)6-8-17(35)36/h2-8,10,14H,9,11-13,15-17H2,1H3,(H4,32,33,36)(H2,34,37,38,41);1-9,12H,10-11,13-17H2,(H4,31,32,35)(H2,33,36,37,40);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,5-13H2,(H,35,36)(H4,26,27,30)(H2,28,31,32,37)
InChIKeyBHYVCZBCIMUOAD-UHFFFAOYSA-N
XLogP11.27
TPSA1045.01 Ų
H-Bond Donors25
H-Bond Acceptors58
Rotatable Bonds42
Heavy Atoms238
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003374.34
LogP ≤ 511.27
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1058

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]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-phenoxyethyl)indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;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]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]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-phenoxyethyl)indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;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]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]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-phenoxyethyl)indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;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]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 157354909) is 3,5-diamino-6-chloro-N-[8-[1-[2-(4-methylphenyl)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-phenoxyethyl)indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;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]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]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-phenoxyethyl)indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;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]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]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-phenoxyethyl)indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;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]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(CC4)CN=C(NC(=O)c4nc(Cl)c(N)nc4N)N5)cccc32)cc1.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)CCc4ccc(CCC(=O)O)cc4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4cccc5c4ccn5CCOc4ccccc4)CC3)N2)nc1Cl.
What is the InChIKey of 3,5-diamino-6-chloro-N-[8-[1-[2-(4-methylphenyl)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-phenoxyethyl)indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;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]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 BHYVCZBCIMUOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32ClN9O2.C29H30ClN9O3.C27H35ClN8O4.C26H33ClN8O4.C25H31ClN8O4.C24H29ClN8O4/c1-18-5-7-19(8-6-18)9-13-39-14-10-20-21(3-2-4-22(20)39)28(42)40-15-11-30(12-16-40)17-34-29(38-30)37-27(41)23-25(32)36-26(33)24(31)35-23;30-23-25(32)35-24(31)22(34-23)26(40)36-28-33-17-29(37-28)10-13-39(14-11-29)27(41)20-7-4-8-21-19(20)9-12-38(21)15-16-42-18-5-2-1-3-6-18;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;25-19-21(27)30-20(26)18(29-19)22(37)31-23-28-13-24(32-23)9-11-33(12-10-24)16(34)7-5-14-1-3-15(4-2-14)6-8-17(35)36/h2-8,10,14H,9,11-13,15-17H2,1H3,(H4,32,33,36)(H2,34,37,38,41);1-9,12H,10-11,13-17H2,(H4,31,32,35)(H2,33,36,37,40);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,5-13H2,(H,35,36)(H4,26,27,30)(H2,28,31,32,37).
What are the key properties of 3,5-diamino-6-chloro-N-[8-[1-[2-(4-methylphenyl)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-phenoxyethyl)indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;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]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]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-phenoxyethyl)indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;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]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 3374.34 g/mol, XLogP of 11.27, 42 rotatable bonds, 25 hydrogen bond donors, and 58 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]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-phenoxyethyl)indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;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]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 157354909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).