3,5-diamino-N-[8-[1-[2-(4-tert-butylphenoxy)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(1,3-dioxan-2-yl)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-hydroxyethyl)-2,3-dimethylindole-5-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(4-methoxyphenoxy)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]indol-1-yl]butanoate

C141H162Cl5N45O18 — CID 159706750

IUPAC3,5-diamino-N-[8-[1-[2-(4-tert-butylphenoxy)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(1,3-dioxan-2-yl)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-hydroxyethyl)-2,3-dimethylindole-5-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(4-methoxyphenoxy)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]indol-1-yl]butanoate
SMILESCC(C)(C)c1ccc(OCCn2ccc3c(C(=O)N4CCC5(CC4)CN=C(NC(=O)c4nc(Cl)c(N)nc4N)N5)cccc32)cc1.COC(=O)CCCn1ccc2c(C(=O)N3CCC4(CC3)CN=C(NC(=O)c3nc(Cl)c(N)nc3N)N4)cccc21.COc1ccc(OCCn2ccc3c(C(=O)N4CCC5(CC4)CN=C(NC(=O)c4nc(Cl)c(N)nc4N)N5)cccc32)cc1.Cc1c(C)n(CCO)c2ccc(C(=O)N3CCC4(CC3)CN=C(NC(=O)c3nc(Cl)c(N)nc3N)N4)cc12.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4cccc5c4ccn5CCC4OCCCO4)CC3)N2)nc1Cl
InChIInChI=1S/C33H38ClN9O3.C30H32ClN9O4.C27H32ClN9O4.C26H30ClN9O4.C25H30ClN9O3/c1-32(2,3)20-7-9-21(10-8-20)46-18-17-42-14-11-22-23(5-4-6-24(22)42)30(45)43-15-12-33(13-16-43)19-37-31(41-33)40-29(44)25-27(35)39-28(36)26(34)38-25;1-43-18-5-7-19(8-6-18)44-16-15-39-12-9-20-21(3-2-4-22(20)39)28(42)40-13-10-30(11-14-40)17-34-29(38-30)37-27(41)23-25(32)36-26(33)24(31)35-23;28-21-23(30)33-22(29)20(32-21)24(38)34-26-31-15-27(35-26)7-11-37(12-8-27)25(39)17-3-1-4-18-16(17)5-9-36(18)10-6-19-40-13-2-14-41-19;1-40-18(37)6-3-10-35-11-7-15-16(4-2-5-17(15)35)24(39)36-12-8-26(9-13-36)14-30-25(34-26)33-23(38)19-21(28)32-22(29)20(27)31-19;1-13-14(2)35(9-10-36)17-4-3-15(11-16(13)17)23(38)34-7-5-25(6-8-34)12-29-24(33-25)32-22(37)18-20(27)31-21(28)19(26)30-18/h4-11,14H,12-13,15-19H2,1-3H3,(H4,35,36,39)(H2,37,40,41,44);2-9,12H,10-11,13-17H2,1H3,(H4,32,33,36)(H2,34,37,38,41);1,3-5,9,19H,2,6-8,10-15H2,(H4,29,30,33)(H2,31,34,35,38);2,4-5,7,11H,3,6,8-10,12-14H2,1H3,(H4,28,29,32)(H2,30,33,34,38);3-4,11,36H,5-10,12H2,1-2H3,(H4,27,28,31)(H2,29,32,33,37)
InChIKeyMYHRNBRYEKXXBV-UHFFFAOYSA-N
MW2952.41 g/mol
LogP11.25
Rot. Bonds28

About 3,5-diamino-N-[8-[1-[2-(4-tert-butylphenoxy)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(1,3-dioxan-2-yl)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-hydroxyethyl)-2,3-dimethylindole-5-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(4-methoxyphenoxy)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]indol-1-yl]butanoate

3,5-diamino-N-[8-[1-[2-(4-tert-butylphenoxy)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(1,3-dioxan-2-yl)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-hydroxyethyl)-2,3-dimethylindole-5-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(4-methoxyphenoxy)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]indol-1-yl]butanoate (PubChem CID 159706750) has the molecular formula C141H162Cl5N45O18 and a molecular weight of 2952.41 g/mol. Its IUPAC name is 3,5-diamino-N-[8-[1-[2-(4-tert-butylphenoxy)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(1,3-dioxan-2-yl)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-hydroxyethyl)-2,3-dimethylindole-5-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(4-methoxyphenoxy)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]indol-1-yl]butanoate.

Molecular Properties

Compound Name3,5-diamino-N-[8-[1-[2-(4-tert-butylphenoxy)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(1,3-dioxan-2-yl)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-hydroxyethyl)-2,3-dimethylindole-5-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(4-methoxyphenoxy)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]indol-1-yl]butanoate
PubChem CID159706750
Molecular FormulaC141H162Cl5N45O18
Molecular Weight2952.41 g/mol
Exact Mass2948.16
IUPAC Name3,5-diamino-N-[8-[1-[2-(4-tert-butylphenoxy)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(1,3-dioxan-2-yl)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-hydroxyethyl)-2,3-dimethylindole-5-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(4-methoxyphenoxy)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]indol-1-yl]butanoate
SMILESCC(C)(C)c1ccc(OCCn2ccc3c(C(=O)N4CCC5(CC4)CN=C(NC(=O)c4nc(Cl)c(N)nc4N)N5)cccc32)cc1.COC(=O)CCCn1ccc2c(C(=O)N3CCC4(CC3)CN=C(NC(=O)c3nc(Cl)c(N)nc3N)N4)cccc21.COc1ccc(OCCn2ccc3c(C(=O)N4CCC5(CC4)CN=C(NC(=O)c4nc(Cl)c(N)nc4N)N5)cccc32)cc1.Cc1c(C)n(CCO)c2ccc(C(=O)N3CCC4(CC3)CN=C(NC(=O)c3nc(Cl)c(N)nc3N)N4)cc12.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4cccc5c4ccn5CCC4OCCCO4)CC3)N2)nc1Cl
InChIInChI=1S/C33H38ClN9O3.C30H32ClN9O4.C27H32ClN9O4.C26H30ClN9O4.C25H30ClN9O3/c1-32(2,3)20-7-9-21(10-8-20)46-18-17-42-14-11-22-23(5-4-6-24(22)42)30(45)43-15-12-33(13-16-43)19-37-31(41-33)40-29(44)25-27(35)39-28(36)26(34)38-25;1-43-18-5-7-19(8-6-18)44-16-15-39-12-9-20-21(3-2-4-22(20)39)28(42)40-13-10-30(11-14-40)17-34-29(38-30)37-27(41)23-25(32)36-26(33)24(31)35-23;28-21-23(30)33-22(29)20(32-21)24(38)34-26-31-15-27(35-26)7-11-37(12-8-27)25(39)17-3-1-4-18-16(17)5-9-36(18)10-6-19-40-13-2-14-41-19;1-40-18(37)6-3-10-35-11-7-15-16(4-2-5-17(15)35)24(39)36-12-8-26(9-13-36)14-30-25(34-26)33-23(38)19-21(28)32-22(29)20(27)31-19;1-13-14(2)35(9-10-36)17-4-3-15(11-16(13)17)23(38)34-7-5-25(6-8-34)12-29-24(33-25)32-22(37)18-20(27)31-21(28)19(26)30-18/h4-11,14H,12-13,15-19H2,1-3H3,(H4,35,36,39)(H2,37,40,41,44);2-9,12H,10-11,13-17H2,1H3,(H4,32,33,36)(H2,34,37,38,41);1,3-5,9,19H,2,6-8,10-15H2,(H4,29,30,33)(H2,31,34,35,38);2,4-5,7,11H,3,6,8-10,12-14H2,1H3,(H4,28,29,32)(H2,30,33,34,38);3-4,11,36H,5-10,12H2,1-2H3,(H4,27,28,31)(H2,29,32,33,37)
InChIKeyMYHRNBRYEKXXBV-UHFFFAOYSA-N
XLogP11.25
TPSA875.43 Ų
H-Bond Donors21
H-Bond Acceptors53
Rotatable Bonds28
Heavy Atoms209
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002952.41
LogP ≤ 511.25
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1053

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 3,5-diamino-N-[8-[1-[2-(4-tert-butylphenoxy)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(1,3-dioxan-2-yl)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-hydroxyethyl)-2,3-dimethylindole-5-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(4-methoxyphenoxy)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-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-N-[8-[1-[2-(4-tert-butylphenoxy)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(1,3-dioxan-2-yl)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-hydroxyethyl)-2,3-dimethylindole-5-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(4-methoxyphenoxy)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]indol-1-yl]butanoate?
The IUPAC name of 3,5-diamino-N-[8-[1-[2-(4-tert-butylphenoxy)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(1,3-dioxan-2-yl)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-hydroxyethyl)-2,3-dimethylindole-5-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(4-methoxyphenoxy)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]indol-1-yl]butanoate (CID 159706750) is 3,5-diamino-N-[8-[1-[2-(4-tert-butylphenoxy)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(1,3-dioxan-2-yl)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-hydroxyethyl)-2,3-dimethylindole-5-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(4-methoxyphenoxy)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]indol-1-yl]butanoate.
What is the SMILES notation for 3,5-diamino-N-[8-[1-[2-(4-tert-butylphenoxy)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(1,3-dioxan-2-yl)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-hydroxyethyl)-2,3-dimethylindole-5-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(4-methoxyphenoxy)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]indol-1-yl]butanoate?
The canonical SMILES for 3,5-diamino-N-[8-[1-[2-(4-tert-butylphenoxy)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(1,3-dioxan-2-yl)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-hydroxyethyl)-2,3-dimethylindole-5-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(4-methoxyphenoxy)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]indol-1-yl]butanoate is CC(C)(C)c1ccc(OCCn2ccc3c(C(=O)N4CCC5(CC4)CN=C(NC(=O)c4nc(Cl)c(N)nc4N)N5)cccc32)cc1.COC(=O)CCCn1ccc2c(C(=O)N3CCC4(CC3)CN=C(NC(=O)c3nc(Cl)c(N)nc3N)N4)cccc21.COc1ccc(OCCn2ccc3c(C(=O)N4CCC5(CC4)CN=C(NC(=O)c4nc(Cl)c(N)nc4N)N5)cccc32)cc1.Cc1c(C)n(CCO)c2ccc(C(=O)N3CCC4(CC3)CN=C(NC(=O)c3nc(Cl)c(N)nc3N)N4)cc12.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4cccc5c4ccn5CCC4OCCCO4)CC3)N2)nc1Cl.
What is the InChIKey of 3,5-diamino-N-[8-[1-[2-(4-tert-butylphenoxy)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(1,3-dioxan-2-yl)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-hydroxyethyl)-2,3-dimethylindole-5-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(4-methoxyphenoxy)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]indol-1-yl]butanoate?
The InChIKey is MYHRNBRYEKXXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38ClN9O3.C30H32ClN9O4.C27H32ClN9O4.C26H30ClN9O4.C25H30ClN9O3/c1-32(2,3)20-7-9-21(10-8-20)46-18-17-42-14-11-22-23(5-4-6-24(22)42)30(45)43-15-12-33(13-16-43)19-37-31(41-33)40-29(44)25-27(35)39-28(36)26(34)38-25;1-43-18-5-7-19(8-6-18)44-16-15-39-12-9-20-21(3-2-4-22(20)39)28(42)40-13-10-30(11-14-40)17-34-29(38-30)37-27(41)23-25(32)36-26(33)24(31)35-23;28-21-23(30)33-22(29)20(32-21)24(38)34-26-31-15-27(35-26)7-11-37(12-8-27)25(39)17-3-1-4-18-16(17)5-9-36(18)10-6-19-40-13-2-14-41-19;1-40-18(37)6-3-10-35-11-7-15-16(4-2-5-17(15)35)24(39)36-12-8-26(9-13-36)14-30-25(34-26)33-23(38)19-21(28)32-22(29)20(27)31-19;1-13-14(2)35(9-10-36)17-4-3-15(11-16(13)17)23(38)34-7-5-25(6-8-34)12-29-24(33-25)32-22(37)18-20(27)31-21(28)19(26)30-18/h4-11,14H,12-13,15-19H2,1-3H3,(H4,35,36,39)(H2,37,40,41,44);2-9,12H,10-11,13-17H2,1H3,(H4,32,33,36)(H2,34,37,38,41);1,3-5,9,19H,2,6-8,10-15H2,(H4,29,30,33)(H2,31,34,35,38);2,4-5,7,11H,3,6,8-10,12-14H2,1H3,(H4,28,29,32)(H2,30,33,34,38);3-4,11,36H,5-10,12H2,1-2H3,(H4,27,28,31)(H2,29,32,33,37).
What are the key properties of 3,5-diamino-N-[8-[1-[2-(4-tert-butylphenoxy)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(1,3-dioxan-2-yl)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-hydroxyethyl)-2,3-dimethylindole-5-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(4-methoxyphenoxy)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]indol-1-yl]butanoate?
3,5-diamino-N-[8-[1-[2-(4-tert-butylphenoxy)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(1,3-dioxan-2-yl)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-hydroxyethyl)-2,3-dimethylindole-5-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(4-methoxyphenoxy)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]indol-1-yl]butanoate has a molecular weight of 2952.41 g/mol, XLogP of 11.25, 28 rotatable bonds, 21 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-[8-[1-[2-(4-tert-butylphenoxy)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(1,3-dioxan-2-yl)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-hydroxyethyl)-2,3-dimethylindole-5-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(4-methoxyphenoxy)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]indol-1-yl]butanoate is sourced from PubChem (CID 159706750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).