3,5-diamino-6-chloro-N-[8-[1-[2-(diethylamino)-2-oxoethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2,3-dimethyl-1-propylindole-5-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(1,3-dioxan-2-yl)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-hydroxyethyl)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-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]indol-1-yl]butanoate

C162H193Cl6N49O21 — CID 158503039

IUPAC3,5-diamino-6-chloro-N-[8-[1-[2-(diethylamino)-2-oxoethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2,3-dimethyl-1-propylindole-5-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(1,3-dioxan-2-yl)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-hydroxyethyl)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-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]indol-1-yl]butanoate
SMILESCCCn1c(C)c(C)c2cc(C(=O)N3CCC4(CCC(NC(=O)c5nc(Cl)c(N)nc5N)=N4)CC3)ccc21.CCN(CC)C(=O)Cn1ccc2c(C(=O)N3CCC4(CCC(NC(=O)c5nc(Cl)c(N)nc5N)=N4)CC3)cccc21.COC(=O)CCCn1ccc2c(C(=O)N3CCC4(CCC(NC(=O)c5nc(Cl)c(N)nc5N)=N4)CC3)cccc21.COCCOCOCCn1ccc2c(C(=O)N3CCC4(CCC(NC(=O)c5nc(Cl)c(N)nc5N)=N4)CC3)cccc21.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)c2cccc4c2ccn4CCC2OCCCO2)CC3)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)c2cccc4c2ccn4CCO)CC3)nc1Cl
InChIInChI=1S/C28H34ClN9O3.C28H35ClN8O5.C28H33ClN8O4.C27H31ClN8O4.C27H33ClN8O2.C24H27ClN8O3/c1-3-36(4-2)21(39)16-38-13-9-17-18(6-5-7-19(17)38)27(41)37-14-11-28(12-15-37)10-8-20(35-28)32-26(40)22-24(30)34-25(31)23(29)33-22;1-40-15-16-42-17-41-14-13-36-10-6-18-19(3-2-4-20(18)36)27(39)37-11-8-28(9-12-37)7-5-21(35-28)32-26(38)22-24(30)34-25(31)23(29)33-22;29-23-25(31)34-24(30)22(33-23)26(38)32-20-5-8-28(35-20)9-13-37(14-10-28)27(39)18-3-1-4-19-17(18)6-11-36(19)12-7-21-40-15-2-16-41-21;1-40-20(37)6-3-12-35-13-8-16-17(4-2-5-18(16)35)26(39)36-14-10-27(11-15-36)9-7-19(34-27)31-25(38)21-23(29)33-24(30)22(28)32-21;1-4-11-36-16(3)15(2)18-14-17(5-6-19(18)36)26(38)35-12-9-27(10-13-35)8-7-20(34-27)31-25(37)21-23(29)33-24(30)22(28)32-21;25-19-21(27)30-20(26)18(29-19)22(35)28-17-4-6-24(31-17)7-10-33(11-8-24)23(36)15-2-1-3-16-14(15)5-9-32(16)12-13-34/h5-7,9,13H,3-4,8,10-12,14-16H2,1-2H3,(H4,30,31,34)(H,32,35,40);2-4,6,10H,5,7-9,11-17H2,1H3,(H4,30,31,34)(H,32,35,38);1,3-4,6,11,21H,2,5,7-10,12-16H2,(H4,30,31,34)(H,32,35,38);2,4-5,8,13H,3,6-7,9-12,14-15H2,1H3,(H4,29,30,33)(H,31,34,38);5-6,14H,4,7-13H2,1-3H3,(H4,29,30,33)(H,31,34,37);1-3,5,9,34H,4,6-8,10-13H2,(H4,26,27,30)(H,28,31,35)
InChIKeyHKDASVYJEDTNFP-UHFFFAOYSA-N
MW3375.37 g/mol
LogP16.71
Rot. Bonds35

About 3,5-diamino-6-chloro-N-[8-[1-[2-(diethylamino)-2-oxoethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2,3-dimethyl-1-propylindole-5-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(1,3-dioxan-2-yl)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-hydroxyethyl)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-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]indol-1-yl]butanoate

3,5-diamino-6-chloro-N-[8-[1-[2-(diethylamino)-2-oxoethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2,3-dimethyl-1-propylindole-5-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(1,3-dioxan-2-yl)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-hydroxyethyl)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-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]indol-1-yl]butanoate (PubChem CID 158503039) has the molecular formula C162H193Cl6N49O21 and a molecular weight of 3375.37 g/mol. Its IUPAC name is 3,5-diamino-6-chloro-N-[8-[1-[2-(diethylamino)-2-oxoethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2,3-dimethyl-1-propylindole-5-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(1,3-dioxan-2-yl)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-hydroxyethyl)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-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]indol-1-yl]butanoate.

Molecular Properties

Compound Name3,5-diamino-6-chloro-N-[8-[1-[2-(diethylamino)-2-oxoethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2,3-dimethyl-1-propylindole-5-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(1,3-dioxan-2-yl)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-hydroxyethyl)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-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]indol-1-yl]butanoate
PubChem CID158503039
Molecular FormulaC162H193Cl6N49O21
Molecular Weight3375.37 g/mol
Exact Mass3370.37
IUPAC Name3,5-diamino-6-chloro-N-[8-[1-[2-(diethylamino)-2-oxoethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2,3-dimethyl-1-propylindole-5-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(1,3-dioxan-2-yl)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-hydroxyethyl)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-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]indol-1-yl]butanoate
SMILESCCCn1c(C)c(C)c2cc(C(=O)N3CCC4(CCC(NC(=O)c5nc(Cl)c(N)nc5N)=N4)CC3)ccc21.CCN(CC)C(=O)Cn1ccc2c(C(=O)N3CCC4(CCC(NC(=O)c5nc(Cl)c(N)nc5N)=N4)CC3)cccc21.COC(=O)CCCn1ccc2c(C(=O)N3CCC4(CCC(NC(=O)c5nc(Cl)c(N)nc5N)=N4)CC3)cccc21.COCCOCOCCn1ccc2c(C(=O)N3CCC4(CCC(NC(=O)c5nc(Cl)c(N)nc5N)=N4)CC3)cccc21.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)c2cccc4c2ccn4CCC2OCCCO2)CC3)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)c2cccc4c2ccn4CCO)CC3)nc1Cl
InChIInChI=1S/C28H34ClN9O3.C28H35ClN8O5.C28H33ClN8O4.C27H31ClN8O4.C27H33ClN8O2.C24H27ClN8O3/c1-3-36(4-2)21(39)16-38-13-9-17-18(6-5-7-19(17)38)27(41)37-14-11-28(12-15-37)10-8-20(35-28)32-26(40)22-24(30)34-25(31)23(29)33-22;1-40-15-16-42-17-41-14-13-36-10-6-18-19(3-2-4-20(18)36)27(39)37-11-8-28(9-12-37)7-5-21(35-28)32-26(38)22-24(30)34-25(31)23(29)33-22;29-23-25(31)34-24(30)22(33-23)26(38)32-20-5-8-28(35-20)9-13-37(14-10-28)27(39)18-3-1-4-19-17(18)6-11-36(19)12-7-21-40-15-2-16-41-21;1-40-20(37)6-3-12-35-13-8-16-17(4-2-5-18(16)35)26(39)36-14-10-27(11-15-36)9-7-19(34-27)31-25(38)21-23(29)33-24(30)22(28)32-21;1-4-11-36-16(3)15(2)18-14-17(5-6-19(18)36)26(38)35-12-9-27(10-13-35)8-7-20(34-27)31-25(37)21-23(29)33-24(30)22(28)32-21;25-19-21(27)30-20(26)18(29-19)22(35)28-17-4-6-24(31-17)7-10-33(11-8-24)23(36)15-2-1-3-16-14(15)5-9-32(16)12-13-34/h5-7,9,13H,3-4,8,10-12,14-16H2,1-2H3,(H4,30,31,34)(H,32,35,40);2-4,6,10H,5,7-9,11-17H2,1H3,(H4,30,31,34)(H,32,35,38);1,3-4,6,11,21H,2,5,7-10,12-16H2,(H4,30,31,34)(H,32,35,38);2,4-5,8,13H,3,6-7,9-12,14-15H2,1H3,(H4,29,30,33)(H,31,34,38);5-6,14H,4,7-13H2,1-3H3,(H4,29,30,33)(H,31,34,37);1-3,5,9,34H,4,6-8,10-13H2,(H4,26,27,30)(H,28,31,35)
InChIKeyHKDASVYJEDTNFP-UHFFFAOYSA-N
XLogP16.71
TPSA980.11 Ų
H-Bond Donors19
H-Bond Acceptors57
Rotatable Bonds35
Heavy Atoms238
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003375.37
LogP ≤ 516.71
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1057

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3,5-diamino-6-chloro-N-[8-[1-[2-(diethylamino)-2-oxoethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2,3-dimethyl-1-propylindole-5-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(1,3-dioxan-2-yl)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-hydroxyethyl)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-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]indol-1-yl]butanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-6-chloro-N-[8-[1-[2-(diethylamino)-2-oxoethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2,3-dimethyl-1-propylindole-5-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(1,3-dioxan-2-yl)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-hydroxyethyl)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-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]indol-1-yl]butanoate?
The IUPAC name of 3,5-diamino-6-chloro-N-[8-[1-[2-(diethylamino)-2-oxoethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2,3-dimethyl-1-propylindole-5-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(1,3-dioxan-2-yl)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-hydroxyethyl)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-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]indol-1-yl]butanoate (CID 158503039) is 3,5-diamino-6-chloro-N-[8-[1-[2-(diethylamino)-2-oxoethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2,3-dimethyl-1-propylindole-5-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(1,3-dioxan-2-yl)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-hydroxyethyl)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-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]indol-1-yl]butanoate.
What is the SMILES notation for 3,5-diamino-6-chloro-N-[8-[1-[2-(diethylamino)-2-oxoethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2,3-dimethyl-1-propylindole-5-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(1,3-dioxan-2-yl)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-hydroxyethyl)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-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]indol-1-yl]butanoate?
The canonical SMILES for 3,5-diamino-6-chloro-N-[8-[1-[2-(diethylamino)-2-oxoethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2,3-dimethyl-1-propylindole-5-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(1,3-dioxan-2-yl)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-hydroxyethyl)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-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]indol-1-yl]butanoate is CCCn1c(C)c(C)c2cc(C(=O)N3CCC4(CCC(NC(=O)c5nc(Cl)c(N)nc5N)=N4)CC3)ccc21.CCN(CC)C(=O)Cn1ccc2c(C(=O)N3CCC4(CCC(NC(=O)c5nc(Cl)c(N)nc5N)=N4)CC3)cccc21.COC(=O)CCCn1ccc2c(C(=O)N3CCC4(CCC(NC(=O)c5nc(Cl)c(N)nc5N)=N4)CC3)cccc21.COCCOCOCCn1ccc2c(C(=O)N3CCC4(CCC(NC(=O)c5nc(Cl)c(N)nc5N)=N4)CC3)cccc21.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)c2cccc4c2ccn4CCC2OCCCO2)CC3)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)c2cccc4c2ccn4CCO)CC3)nc1Cl.
What is the InChIKey of 3,5-diamino-6-chloro-N-[8-[1-[2-(diethylamino)-2-oxoethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2,3-dimethyl-1-propylindole-5-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(1,3-dioxan-2-yl)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-hydroxyethyl)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-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]indol-1-yl]butanoate?
The InChIKey is HKDASVYJEDTNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34ClN9O3.C28H35ClN8O5.C28H33ClN8O4.C27H31ClN8O4.C27H33ClN8O2.C24H27ClN8O3/c1-3-36(4-2)21(39)16-38-13-9-17-18(6-5-7-19(17)38)27(41)37-14-11-28(12-15-37)10-8-20(35-28)32-26(40)22-24(30)34-25(31)23(29)33-22;1-40-15-16-42-17-41-14-13-36-10-6-18-19(3-2-4-20(18)36)27(39)37-11-8-28(9-12-37)7-5-21(35-28)32-26(38)22-24(30)34-25(31)23(29)33-22;29-23-25(31)34-24(30)22(33-23)26(38)32-20-5-8-28(35-20)9-13-37(14-10-28)27(39)18-3-1-4-19-17(18)6-11-36(19)12-7-21-40-15-2-16-41-21;1-40-20(37)6-3-12-35-13-8-16-17(4-2-5-18(16)35)26(39)36-14-10-27(11-15-36)9-7-19(34-27)31-25(38)21-23(29)33-24(30)22(28)32-21;1-4-11-36-16(3)15(2)18-14-17(5-6-19(18)36)26(38)35-12-9-27(10-13-35)8-7-20(34-27)31-25(37)21-23(29)33-24(30)22(28)32-21;25-19-21(27)30-20(26)18(29-19)22(35)28-17-4-6-24(31-17)7-10-33(11-8-24)23(36)15-2-1-3-16-14(15)5-9-32(16)12-13-34/h5-7,9,13H,3-4,8,10-12,14-16H2,1-2H3,(H4,30,31,34)(H,32,35,40);2-4,6,10H,5,7-9,11-17H2,1H3,(H4,30,31,34)(H,32,35,38);1,3-4,6,11,21H,2,5,7-10,12-16H2,(H4,30,31,34)(H,32,35,38);2,4-5,8,13H,3,6-7,9-12,14-15H2,1H3,(H4,29,30,33)(H,31,34,38);5-6,14H,4,7-13H2,1-3H3,(H4,29,30,33)(H,31,34,37);1-3,5,9,34H,4,6-8,10-13H2,(H4,26,27,30)(H,28,31,35).
What are the key properties of 3,5-diamino-6-chloro-N-[8-[1-[2-(diethylamino)-2-oxoethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2,3-dimethyl-1-propylindole-5-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(1,3-dioxan-2-yl)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-hydroxyethyl)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-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]indol-1-yl]butanoate?
3,5-diamino-6-chloro-N-[8-[1-[2-(diethylamino)-2-oxoethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2,3-dimethyl-1-propylindole-5-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(1,3-dioxan-2-yl)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-hydroxyethyl)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-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]indol-1-yl]butanoate has a molecular weight of 3375.37 g/mol, XLogP of 16.71, 35 rotatable bonds, 19 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-6-chloro-N-[8-[1-[2-(diethylamino)-2-oxoethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2,3-dimethyl-1-propylindole-5-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(1,3-dioxan-2-yl)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-hydroxyethyl)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-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]indol-1-yl]butanoate is sourced from PubChem (CID 158503039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).