1-(3-amino-6-chloro-5-methylpyrazin-2-yl)-8-[4-(2-ethoxyethoxy)phenyl]-3-iminooctan-1-one;1-(3-amino-6-chloro-5-methylpyrazin-2-yl)-3-imino-8-[4-[2-[2-[2-[2-(4-oxooctoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]octan-1-one;2-[2-[2-[4-[8-(3-amino-6-chloro-5-methylpyrazin-2-yl)-6-imino-8-oxooctyl]phenoxy]ethoxy]ethoxy]ethyl acetate;2-[2-[2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]ethoxy]ethoxy]ethyl N-(4-ethylphenyl)carbamate;2-[2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]ethoxy]ethyl 2-[4-(ethoxycarbonylamino)cyclohexyl]acetate;3,5-diamino-6-chloro-N-[N'-[4-[4-[2-[2-[2-[2-[2-(propylcarbamoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide

C177H255Cl6N37O36 — CID 158545862

IUPAC1-(3-amino-6-chloro-5-methylpyrazin-2-yl)-8-[4-(2-ethoxyethoxy)phenyl]-3-iminooctan-1-one;1-(3-amino-6-chloro-5-methylpyrazin-2-yl)-3-imino-8-[4-[2-[2-[2-[2-(4-oxooctoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]octan-1-one;2-[2-[2-[4-[8-(3-amino-6-chloro-5-methylpyrazin-2-yl)-6-imino-8-oxooctyl]phenoxy]ethoxy]ethoxy]ethyl acetate;2-[2-[2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]ethoxy]ethoxy]ethyl N-(4-ethylphenyl)carbamate;2-[2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]ethoxy]ethyl 2-[4-(ethoxycarbonylamino)cyclohexyl]acetate;3,5-diamino-6-chloro-N-[N'-[4-[4-[2-[2-[2-[2-[2-(propylcarbamoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide
SMILESCCCNC(=O)NCCOCCOCCOCCOCCOc1ccc(CCCC/N=C(\N)NC(=O)c2nc(Cl)c(N)nc2N)cc1.CCOC(=O)NC1CCC(CC(=O)OCCOCCOc2ccc(CCCC/N=C(\N)NC(=O)c3nc(Cl)c(N)nc3N)cc2)CC1.CCc1ccc(NC(=O)OCCOCCOCCOc2ccc(CCCC/N=C(\N)NC(=O)c3nc(Cl)c(N)nc3N)cc2)cc1.[H]/N=C(\CCCCCc1ccc(OCCOCC)cc1)CC(=O)c1nc(Cl)c(C)nc1N.[H]/N=C(\CCCCCc1ccc(OCCOCCOCCOC(C)=O)cc1)CC(=O)c1nc(Cl)c(C)nc1N.[H]/N=C(\CCCCCc1ccc(OCCOCCOCCOCCOCCCC(=O)CCCC)cc1)CC(=O)c1nc(Cl)c(C)nc1N
InChIInChI=1S/C35H53ClN4O7.C31H45ClN8O7.C31H41ClN8O6.C30H48ClN9O7.C27H37ClN4O6.C23H31ClN4O3/c1-3-4-11-30(41)12-8-17-43-18-19-44-20-21-45-22-23-46-24-25-47-31-15-13-28(14-16-31)9-6-5-7-10-29(37)26-32(42)33-35(38)39-27(2)34(36)40-33;1-2-45-31(43)37-22-10-6-21(7-11-22)19-24(41)47-18-16-44-15-17-46-23-12-8-20(9-13-23)5-3-4-14-36-30(35)40-29(42)25-27(33)39-28(34)26(32)38-25;1-2-21-6-10-23(11-7-21)37-31(42)46-20-18-44-16-15-43-17-19-45-24-12-8-22(9-13-24)5-3-4-14-36-30(35)40-29(41)25-27(33)39-28(34)26(32)38-25;1-2-10-36-30(42)37-12-13-43-14-15-44-16-17-45-18-19-46-20-21-47-23-8-6-22(7-9-23)5-3-4-11-35-29(34)40-28(41)24-26(32)39-27(33)25(31)38-24;1-19-26(28)32-25(27(30)31-19)24(34)18-22(29)7-5-3-4-6-21-8-10-23(11-9-21)38-17-15-36-13-12-35-14-16-37-20(2)33;1-3-30-13-14-31-19-11-9-17(10-12-19)7-5-4-6-8-18(25)15-20(29)21-23(26)27-16(2)22(24)28-21/h13-16,37H,3-12,17-26H2,1-2H3,(H2,38,39);8-9,12-13,21-22H,2-7,10-11,14-19H2,1H3,(H,37,43)(H4,33,34,39)(H3,35,36,40,42);6-13H,2-5,14-20H2,1H3,(H,37,42)(H4,33,34,39)(H3,35,36,40,41);6-9H,2-5,10-21H2,1H3,(H4,32,33,39)(H2,36,37,42)(H3,34,35,40,41);8-11,29H,3-7,12-18H2,1-2H3,(H2,30,31);9-12,25H,3-8,13-15H2,1-2H3,(H2,26,27)/b37-29+;;;;29-22+;25-18+
InChIKeyHPCGOKCDKPVYPK-IRRFYSAFSA-N
MW3689.93 g/mol
LogP23.72
Rot. Bonds121

About 1-(3-amino-6-chloro-5-methylpyrazin-2-yl)-8-[4-(2-ethoxyethoxy)phenyl]-3-iminooctan-1-one;1-(3-amino-6-chloro-5-methylpyrazin-2-yl)-3-imino-8-[4-[2-[2-[2-[2-(4-oxooctoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]octan-1-one;2-[2-[2-[4-[8-(3-amino-6-chloro-5-methylpyrazin-2-yl)-6-imino-8-oxooctyl]phenoxy]ethoxy]ethoxy]ethyl acetate;2-[2-[2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]ethoxy]ethoxy]ethyl N-(4-ethylphenyl)carbamate;2-[2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]ethoxy]ethyl 2-[4-(ethoxycarbonylamino)cyclohexyl]acetate;3,5-diamino-6-chloro-N-[N'-[4-[4-[2-[2-[2-[2-[2-(propylcarbamoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide

1-(3-amino-6-chloro-5-methylpyrazin-2-yl)-8-[4-(2-ethoxyethoxy)phenyl]-3-iminooctan-1-one;1-(3-amino-6-chloro-5-methylpyrazin-2-yl)-3-imino-8-[4-[2-[2-[2-[2-(4-oxooctoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]octan-1-one;2-[2-[2-[4-[8-(3-amino-6-chloro-5-methylpyrazin-2-yl)-6-imino-8-oxooctyl]phenoxy]ethoxy]ethoxy]ethyl acetate;2-[2-[2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]ethoxy]ethoxy]ethyl N-(4-ethylphenyl)carbamate;2-[2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]ethoxy]ethyl 2-[4-(ethoxycarbonylamino)cyclohexyl]acetate;3,5-diamino-6-chloro-N-[N'-[4-[4-[2-[2-[2-[2-[2-(propylcarbamoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide (PubChem CID 158545862) has the molecular formula C177H255Cl6N37O36 and a molecular weight of 3689.93 g/mol. Its IUPAC name is 1-(3-amino-6-chloro-5-methylpyrazin-2-yl)-8-[4-(2-ethoxyethoxy)phenyl]-3-iminooctan-1-one;1-(3-amino-6-chloro-5-methylpyrazin-2-yl)-3-imino-8-[4-[2-[2-[2-[2-(4-oxooctoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]octan-1-one;2-[2-[2-[4-[8-(3-amino-6-chloro-5-methylpyrazin-2-yl)-6-imino-8-oxooctyl]phenoxy]ethoxy]ethoxy]ethyl acetate;2-[2-[2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]ethoxy]ethoxy]ethyl N-(4-ethylphenyl)carbamate;2-[2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]ethoxy]ethyl 2-[4-(ethoxycarbonylamino)cyclohexyl]acetate;3,5-diamino-6-chloro-N-[N'-[4-[4-[2-[2-[2-[2-[2-(propylcarbamoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name1-(3-amino-6-chloro-5-methylpyrazin-2-yl)-8-[4-(2-ethoxyethoxy)phenyl]-3-iminooctan-1-one;1-(3-amino-6-chloro-5-methylpyrazin-2-yl)-3-imino-8-[4-[2-[2-[2-[2-(4-oxooctoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]octan-1-one;2-[2-[2-[4-[8-(3-amino-6-chloro-5-methylpyrazin-2-yl)-6-imino-8-oxooctyl]phenoxy]ethoxy]ethoxy]ethyl acetate;2-[2-[2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]ethoxy]ethoxy]ethyl N-(4-ethylphenyl)carbamate;2-[2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]ethoxy]ethyl 2-[4-(ethoxycarbonylamino)cyclohexyl]acetate;3,5-diamino-6-chloro-N-[N'-[4-[4-[2-[2-[2-[2-[2-(propylcarbamoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide
PubChem CID158545862
Molecular FormulaC177H255Cl6N37O36
Molecular Weight3689.93 g/mol
Exact Mass3684.74
IUPAC Name1-(3-amino-6-chloro-5-methylpyrazin-2-yl)-8-[4-(2-ethoxyethoxy)phenyl]-3-iminooctan-1-one;1-(3-amino-6-chloro-5-methylpyrazin-2-yl)-3-imino-8-[4-[2-[2-[2-[2-(4-oxooctoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]octan-1-one;2-[2-[2-[4-[8-(3-amino-6-chloro-5-methylpyrazin-2-yl)-6-imino-8-oxooctyl]phenoxy]ethoxy]ethoxy]ethyl acetate;2-[2-[2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]ethoxy]ethoxy]ethyl N-(4-ethylphenyl)carbamate;2-[2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]ethoxy]ethyl 2-[4-(ethoxycarbonylamino)cyclohexyl]acetate;3,5-diamino-6-chloro-N-[N'-[4-[4-[2-[2-[2-[2-[2-(propylcarbamoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide
SMILESCCCNC(=O)NCCOCCOCCOCCOCCOc1ccc(CCCC/N=C(\N)NC(=O)c2nc(Cl)c(N)nc2N)cc1.CCOC(=O)NC1CCC(CC(=O)OCCOCCOc2ccc(CCCC/N=C(\N)NC(=O)c3nc(Cl)c(N)nc3N)cc2)CC1.CCc1ccc(NC(=O)OCCOCCOCCOc2ccc(CCCC/N=C(\N)NC(=O)c3nc(Cl)c(N)nc3N)cc2)cc1.[H]/N=C(\CCCCCc1ccc(OCCOCC)cc1)CC(=O)c1nc(Cl)c(C)nc1N.[H]/N=C(\CCCCCc1ccc(OCCOCCOCCOC(C)=O)cc1)CC(=O)c1nc(Cl)c(C)nc1N.[H]/N=C(\CCCCCc1ccc(OCCOCCOCCOCCOCCCC(=O)CCCC)cc1)CC(=O)c1nc(Cl)c(C)nc1N
InChIInChI=1S/C35H53ClN4O7.C31H45ClN8O7.C31H41ClN8O6.C30H48ClN9O7.C27H37ClN4O6.C23H31ClN4O3/c1-3-4-11-30(41)12-8-17-43-18-19-44-20-21-45-22-23-46-24-25-47-31-15-13-28(14-16-31)9-6-5-7-10-29(37)26-32(42)33-35(38)39-27(2)34(36)40-33;1-2-45-31(43)37-22-10-6-21(7-11-22)19-24(41)47-18-16-44-15-17-46-23-12-8-20(9-13-23)5-3-4-14-36-30(35)40-29(42)25-27(33)39-28(34)26(32)38-25;1-2-21-6-10-23(11-7-21)37-31(42)46-20-18-44-16-15-43-17-19-45-24-12-8-22(9-13-24)5-3-4-14-36-30(35)40-29(41)25-27(33)39-28(34)26(32)38-25;1-2-10-36-30(42)37-12-13-43-14-15-44-16-17-45-18-19-46-20-21-47-23-8-6-22(7-9-23)5-3-4-11-35-29(34)40-28(41)24-26(32)39-27(33)25(31)38-24;1-19-26(28)32-25(27(30)31-19)24(34)18-22(29)7-5-3-4-6-21-8-10-23(11-9-21)38-17-15-36-13-12-35-14-16-37-20(2)33;1-3-30-13-14-31-19-11-9-17(10-12-19)7-5-4-6-8-18(25)15-20(29)21-23(26)27-16(2)22(24)28-21/h13-16,37H,3-12,17-26H2,1-2H3,(H2,38,39);8-9,12-13,21-22H,2-7,10-11,14-19H2,1H3,(H,37,43)(H4,33,34,39)(H3,35,36,40,42);6-13H,2-5,14-20H2,1H3,(H,37,42)(H4,33,34,39)(H3,35,36,40,41);6-9H,2-5,10-21H2,1H3,(H4,32,33,39)(H2,36,37,42)(H3,34,35,40,41);8-11,29H,3-7,12-18H2,1-2H3,(H2,30,31);9-12,25H,3-8,13-15H2,1-2H3,(H2,26,27)/b37-29+;;;;29-22+;25-18+
InChIKeyHPCGOKCDKPVYPK-IRRFYSAFSA-N
XLogP23.72
TPSA1086.12 Ų
H-Bond Donors22
H-Bond Acceptors63
Rotatable Bonds121
Heavy Atoms256
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003689.93
LogP ≤ 523.72
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1063

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-(3-amino-6-chloro-5-methylpyrazin-2-yl)-8-[4-(2-ethoxyethoxy)phenyl]-3-iminooctan-1-one;1-(3-amino-6-chloro-5-methylpyrazin-2-yl)-3-imino-8-[4-[2-[2-[2-[2-(4-oxooctoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]octan-1-one;2-[2-[2-[4-[8-(3-amino-6-chloro-5-methylpyrazin-2-yl)-6-imino-8-oxooctyl]phenoxy]ethoxy]ethoxy]ethyl acetate;2-[2-[2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]ethoxy]ethoxy]ethyl N-(4-ethylphenyl)carbamate;2-[2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]ethoxy]ethyl 2-[4-(ethoxycarbonylamino)cyclohexyl]acetate;3,5-diamino-6-chloro-N-[N'-[4-[4-[2-[2-[2-[2-[2-(propylcarbamoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-6-chloro-5-methylpyrazin-2-yl)-8-[4-(2-ethoxyethoxy)phenyl]-3-iminooctan-1-one;1-(3-amino-6-chloro-5-methylpyrazin-2-yl)-3-imino-8-[4-[2-[2-[2-[2-(4-oxooctoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]octan-1-one;2-[2-[2-[4-[8-(3-amino-6-chloro-5-methylpyrazin-2-yl)-6-imino-8-oxooctyl]phenoxy]ethoxy]ethoxy]ethyl acetate;2-[2-[2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]ethoxy]ethoxy]ethyl N-(4-ethylphenyl)carbamate;2-[2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]ethoxy]ethyl 2-[4-(ethoxycarbonylamino)cyclohexyl]acetate;3,5-diamino-6-chloro-N-[N'-[4-[4-[2-[2-[2-[2-[2-(propylcarbamoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide?
The IUPAC name of 1-(3-amino-6-chloro-5-methylpyrazin-2-yl)-8-[4-(2-ethoxyethoxy)phenyl]-3-iminooctan-1-one;1-(3-amino-6-chloro-5-methylpyrazin-2-yl)-3-imino-8-[4-[2-[2-[2-[2-(4-oxooctoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]octan-1-one;2-[2-[2-[4-[8-(3-amino-6-chloro-5-methylpyrazin-2-yl)-6-imino-8-oxooctyl]phenoxy]ethoxy]ethoxy]ethyl acetate;2-[2-[2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]ethoxy]ethoxy]ethyl N-(4-ethylphenyl)carbamate;2-[2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]ethoxy]ethyl 2-[4-(ethoxycarbonylamino)cyclohexyl]acetate;3,5-diamino-6-chloro-N-[N'-[4-[4-[2-[2-[2-[2-[2-(propylcarbamoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide (CID 158545862) is 1-(3-amino-6-chloro-5-methylpyrazin-2-yl)-8-[4-(2-ethoxyethoxy)phenyl]-3-iminooctan-1-one;1-(3-amino-6-chloro-5-methylpyrazin-2-yl)-3-imino-8-[4-[2-[2-[2-[2-(4-oxooctoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]octan-1-one;2-[2-[2-[4-[8-(3-amino-6-chloro-5-methylpyrazin-2-yl)-6-imino-8-oxooctyl]phenoxy]ethoxy]ethoxy]ethyl acetate;2-[2-[2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]ethoxy]ethoxy]ethyl N-(4-ethylphenyl)carbamate;2-[2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]ethoxy]ethyl 2-[4-(ethoxycarbonylamino)cyclohexyl]acetate;3,5-diamino-6-chloro-N-[N'-[4-[4-[2-[2-[2-[2-[2-(propylcarbamoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide.
What is the SMILES notation for 1-(3-amino-6-chloro-5-methylpyrazin-2-yl)-8-[4-(2-ethoxyethoxy)phenyl]-3-iminooctan-1-one;1-(3-amino-6-chloro-5-methylpyrazin-2-yl)-3-imino-8-[4-[2-[2-[2-[2-(4-oxooctoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]octan-1-one;2-[2-[2-[4-[8-(3-amino-6-chloro-5-methylpyrazin-2-yl)-6-imino-8-oxooctyl]phenoxy]ethoxy]ethoxy]ethyl acetate;2-[2-[2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]ethoxy]ethoxy]ethyl N-(4-ethylphenyl)carbamate;2-[2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]ethoxy]ethyl 2-[4-(ethoxycarbonylamino)cyclohexyl]acetate;3,5-diamino-6-chloro-N-[N'-[4-[4-[2-[2-[2-[2-[2-(propylcarbamoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide?
The canonical SMILES for 1-(3-amino-6-chloro-5-methylpyrazin-2-yl)-8-[4-(2-ethoxyethoxy)phenyl]-3-iminooctan-1-one;1-(3-amino-6-chloro-5-methylpyrazin-2-yl)-3-imino-8-[4-[2-[2-[2-[2-(4-oxooctoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]octan-1-one;2-[2-[2-[4-[8-(3-amino-6-chloro-5-methylpyrazin-2-yl)-6-imino-8-oxooctyl]phenoxy]ethoxy]ethoxy]ethyl acetate;2-[2-[2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]ethoxy]ethoxy]ethyl N-(4-ethylphenyl)carbamate;2-[2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]ethoxy]ethyl 2-[4-(ethoxycarbonylamino)cyclohexyl]acetate;3,5-diamino-6-chloro-N-[N'-[4-[4-[2-[2-[2-[2-[2-(propylcarbamoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide is CCCNC(=O)NCCOCCOCCOCCOCCOc1ccc(CCCC/N=C(\N)NC(=O)c2nc(Cl)c(N)nc2N)cc1.CCOC(=O)NC1CCC(CC(=O)OCCOCCOc2ccc(CCCC/N=C(\N)NC(=O)c3nc(Cl)c(N)nc3N)cc2)CC1.CCc1ccc(NC(=O)OCCOCCOCCOc2ccc(CCCC/N=C(\N)NC(=O)c3nc(Cl)c(N)nc3N)cc2)cc1.[H]/N=C(\CCCCCc1ccc(OCCOCC)cc1)CC(=O)c1nc(Cl)c(C)nc1N.[H]/N=C(\CCCCCc1ccc(OCCOCCOCCOC(C)=O)cc1)CC(=O)c1nc(Cl)c(C)nc1N.[H]/N=C(\CCCCCc1ccc(OCCOCCOCCOCCOCCCC(=O)CCCC)cc1)CC(=O)c1nc(Cl)c(C)nc1N.
What is the InChIKey of 1-(3-amino-6-chloro-5-methylpyrazin-2-yl)-8-[4-(2-ethoxyethoxy)phenyl]-3-iminooctan-1-one;1-(3-amino-6-chloro-5-methylpyrazin-2-yl)-3-imino-8-[4-[2-[2-[2-[2-(4-oxooctoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]octan-1-one;2-[2-[2-[4-[8-(3-amino-6-chloro-5-methylpyrazin-2-yl)-6-imino-8-oxooctyl]phenoxy]ethoxy]ethoxy]ethyl acetate;2-[2-[2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]ethoxy]ethoxy]ethyl N-(4-ethylphenyl)carbamate;2-[2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]ethoxy]ethyl 2-[4-(ethoxycarbonylamino)cyclohexyl]acetate;3,5-diamino-6-chloro-N-[N'-[4-[4-[2-[2-[2-[2-[2-(propylcarbamoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide?
The InChIKey is HPCGOKCDKPVYPK-IRRFYSAFSA-N. The full InChI is InChI=1S/C35H53ClN4O7.C31H45ClN8O7.C31H41ClN8O6.C30H48ClN9O7.C27H37ClN4O6.C23H31ClN4O3/c1-3-4-11-30(41)12-8-17-43-18-19-44-20-21-45-22-23-46-24-25-47-31-15-13-28(14-16-31)9-6-5-7-10-29(37)26-32(42)33-35(38)39-27(2)34(36)40-33;1-2-45-31(43)37-22-10-6-21(7-11-22)19-24(41)47-18-16-44-15-17-46-23-12-8-20(9-13-23)5-3-4-14-36-30(35)40-29(42)25-27(33)39-28(34)26(32)38-25;1-2-21-6-10-23(11-7-21)37-31(42)46-20-18-44-16-15-43-17-19-45-24-12-8-22(9-13-24)5-3-4-14-36-30(35)40-29(41)25-27(33)39-28(34)26(32)38-25;1-2-10-36-30(42)37-12-13-43-14-15-44-16-17-45-18-19-46-20-21-47-23-8-6-22(7-9-23)5-3-4-11-35-29(34)40-28(41)24-26(32)39-27(33)25(31)38-24;1-19-26(28)32-25(27(30)31-19)24(34)18-22(29)7-5-3-4-6-21-8-10-23(11-9-21)38-17-15-36-13-12-35-14-16-37-20(2)33;1-3-30-13-14-31-19-11-9-17(10-12-19)7-5-4-6-8-18(25)15-20(29)21-23(26)27-16(2)22(24)28-21/h13-16,37H,3-12,17-26H2,1-2H3,(H2,38,39);8-9,12-13,21-22H,2-7,10-11,14-19H2,1H3,(H,37,43)(H4,33,34,39)(H3,35,36,40,42);6-13H,2-5,14-20H2,1H3,(H,37,42)(H4,33,34,39)(H3,35,36,40,41);6-9H,2-5,10-21H2,1H3,(H4,32,33,39)(H2,36,37,42)(H3,34,35,40,41);8-11,29H,3-7,12-18H2,1-2H3,(H2,30,31);9-12,25H,3-8,13-15H2,1-2H3,(H2,26,27)/b37-29+;;;;29-22+;25-18+.
What are the key properties of 1-(3-amino-6-chloro-5-methylpyrazin-2-yl)-8-[4-(2-ethoxyethoxy)phenyl]-3-iminooctan-1-one;1-(3-amino-6-chloro-5-methylpyrazin-2-yl)-3-imino-8-[4-[2-[2-[2-[2-(4-oxooctoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]octan-1-one;2-[2-[2-[4-[8-(3-amino-6-chloro-5-methylpyrazin-2-yl)-6-imino-8-oxooctyl]phenoxy]ethoxy]ethoxy]ethyl acetate;2-[2-[2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]ethoxy]ethoxy]ethyl N-(4-ethylphenyl)carbamate;2-[2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]ethoxy]ethyl 2-[4-(ethoxycarbonylamino)cyclohexyl]acetate;3,5-diamino-6-chloro-N-[N'-[4-[4-[2-[2-[2-[2-[2-(propylcarbamoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide?
1-(3-amino-6-chloro-5-methylpyrazin-2-yl)-8-[4-(2-ethoxyethoxy)phenyl]-3-iminooctan-1-one;1-(3-amino-6-chloro-5-methylpyrazin-2-yl)-3-imino-8-[4-[2-[2-[2-[2-(4-oxooctoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]octan-1-one;2-[2-[2-[4-[8-(3-amino-6-chloro-5-methylpyrazin-2-yl)-6-imino-8-oxooctyl]phenoxy]ethoxy]ethoxy]ethyl acetate;2-[2-[2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]ethoxy]ethoxy]ethyl N-(4-ethylphenyl)carbamate;2-[2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]ethoxy]ethyl 2-[4-(ethoxycarbonylamino)cyclohexyl]acetate;3,5-diamino-6-chloro-N-[N'-[4-[4-[2-[2-[2-[2-[2-(propylcarbamoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide has a molecular weight of 3689.93 g/mol, XLogP of 23.72, 121 rotatable bonds, 22 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-6-chloro-5-methylpyrazin-2-yl)-8-[4-(2-ethoxyethoxy)phenyl]-3-iminooctan-1-one;1-(3-amino-6-chloro-5-methylpyrazin-2-yl)-3-imino-8-[4-[2-[2-[2-[2-(4-oxooctoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]octan-1-one;2-[2-[2-[4-[8-(3-amino-6-chloro-5-methylpyrazin-2-yl)-6-imino-8-oxooctyl]phenoxy]ethoxy]ethoxy]ethyl acetate;2-[2-[2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]ethoxy]ethoxy]ethyl N-(4-ethylphenyl)carbamate;2-[2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]ethoxy]ethyl 2-[4-(ethoxycarbonylamino)cyclohexyl]acetate;3,5-diamino-6-chloro-N-[N'-[4-[4-[2-[2-[2-[2-[2-(propylcarbamoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide is sourced from PubChem (CID 158545862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).