N'-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]furan-2-carboximidamide;N'-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(dimethylamino)cyclohexen-1-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(dimethylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(ethylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]furan-2-carboximidamide

C141H160N28O2S5 — CID 159136816

IUPACN'-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]furan-2-carboximidamide;N'-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(dimethylamino)cyclohexen-1-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(dimethylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(ethylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]furan-2-carboximidamide
SMILESCCNC1CCC(c2c[nH]c3ccc(/N=C(\N)c4cccs4)cc23)CC1.CN(C)C1CC=C(c2c[nH]c3ccc(/N=C(\N)c4cccs4)cc23)CC1.CN(C)C1CCC(c2c[nH]c3ccc(/N=C(\N)c4cccs4)cc23)CC1.CN1CCC(c2c[nH]c3ccc(/N=C(\N)c4ccco4)cc23)C1.N/C(=N\c1ccc2[nH]cc(C3=CN4CCC3CC4)c2c1)c1cccs1.N/C(=N\c1ccc2[nH]cc(C3CN4CCC3CC4)c2c1)c1ccco1.N/C(=N\c1ccc2[nH]cc(C3CN4CCC3CC4)c2c1)c1cccs1
InChIInChI=1S/C21H26N4S.C21H24N4S.C21H26N4S.C20H22N4O.C20H22N4S.C20H20N4S.C18H20N4O/c2*1-25(2)16-8-5-14(6-9-16)18-13-23-19-10-7-15(12-17(18)19)24-21(22)20-4-3-11-26-20;1-2-23-15-7-5-14(6-8-15)18-13-24-19-10-9-16(12-17(18)19)25-21(22)20-4-3-11-26-20;3*21-20(19-2-1-9-25-19)23-14-3-4-18-15(10-14)16(11-22-18)17-12-24-7-5-13(17)6-8-24;1-22-7-6-12(11-22)15-10-20-16-5-4-13(9-14(15)16)21-18(19)17-3-2-8-23-17/h3-4,7,10-14,16,23H,5-6,8-9H2,1-2H3,(H2,22,24);3-5,7,10-13,16,23H,6,8-9H2,1-2H3,(H2,22,24);3-4,9-15,23-24H,2,5-8H2,1H3,(H2,22,25);2*1-4,9-11,13,17,22H,5-8,12H2,(H2,21,23);1-4,9-13,22H,5-8H2,(H2,21,23);2-5,8-10,12,20H,6-7,11H2,1H3,(H2,19,21)
InChIKeyKHPDAQFCRIZMIT-UHFFFAOYSA-N
MW2439.36 g/mol
LogP29.75
Rot. Bonds25

About N'-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]furan-2-carboximidamide;N'-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(dimethylamino)cyclohexen-1-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(dimethylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(ethylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]furan-2-carboximidamide

N'-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]furan-2-carboximidamide;N'-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(dimethylamino)cyclohexen-1-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(dimethylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(ethylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]furan-2-carboximidamide (PubChem CID 159136816) has the molecular formula C141H160N28O2S5 and a molecular weight of 2439.36 g/mol. Its IUPAC name is N'-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]furan-2-carboximidamide;N'-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(dimethylamino)cyclohexen-1-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(dimethylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(ethylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]furan-2-carboximidamide.

Molecular Properties

Compound NameN'-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]furan-2-carboximidamide;N'-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(dimethylamino)cyclohexen-1-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(dimethylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(ethylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]furan-2-carboximidamide
PubChem CID159136816
Molecular FormulaC141H160N28O2S5
Molecular Weight2439.36 g/mol
Exact Mass2437.19
IUPAC NameN'-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]furan-2-carboximidamide;N'-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(dimethylamino)cyclohexen-1-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(dimethylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(ethylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]furan-2-carboximidamide
SMILESCCNC1CCC(c2c[nH]c3ccc(/N=C(\N)c4cccs4)cc23)CC1.CN(C)C1CC=C(c2c[nH]c3ccc(/N=C(\N)c4cccs4)cc23)CC1.CN(C)C1CCC(c2c[nH]c3ccc(/N=C(\N)c4cccs4)cc23)CC1.CN1CCC(c2c[nH]c3ccc(/N=C(\N)c4ccco4)cc23)C1.N/C(=N\c1ccc2[nH]cc(C3=CN4CCC3CC4)c2c1)c1cccs1.N/C(=N\c1ccc2[nH]cc(C3CN4CCC3CC4)c2c1)c1ccco1.N/C(=N\c1ccc2[nH]cc(C3CN4CCC3CC4)c2c1)c1cccs1
InChIInChI=1S/C21H26N4S.C21H24N4S.C21H26N4S.C20H22N4O.C20H22N4S.C20H20N4S.C18H20N4O/c2*1-25(2)16-8-5-14(6-9-16)18-13-23-19-10-7-15(12-17(18)19)24-21(22)20-4-3-11-26-20;1-2-23-15-7-5-14(6-8-15)18-13-24-19-10-9-16(12-17(18)19)25-21(22)20-4-3-11-26-20;3*21-20(19-2-1-9-25-19)23-14-3-4-18-15(10-14)16(11-22-18)17-12-24-7-5-13(17)6-8-24;1-22-7-6-12(11-22)15-10-20-16-5-4-13(9-14(15)16)21-18(19)17-3-2-8-23-17/h3-4,7,10-14,16,23H,5-6,8-9H2,1-2H3,(H2,22,24);3-5,7,10-13,16,23H,6,8-9H2,1-2H3,(H2,22,24);3-4,9-15,23-24H,2,5-8H2,1H3,(H2,22,25);2*1-4,9-11,13,17,22H,5-8,12H2,(H2,21,23);1-4,9-13,22H,5-8H2,(H2,21,23);2-5,8-10,12,20H,6-7,11H2,1H3,(H2,19,21)
InChIKeyKHPDAQFCRIZMIT-UHFFFAOYSA-N
XLogP29.75
TPSA436.94 Ų
H-Bond Donors15
H-Bond Acceptors21
Rotatable Bonds25
Heavy Atoms176
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002439.36
LogP ≤ 529.75
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze N'-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]furan-2-carboximidamide;N'-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(dimethylamino)cyclohexen-1-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(dimethylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(ethylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]furan-2-carboximidamide with MolForge

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Related Compounds

tert-butylbenzene;1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylcyclopenta-1,3-diene);4-tert-butyl-1,1-difluorocyclohexane;bis(2-tert-butylfuran);3-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-tert-butylnaphthalene;1-tert-butylpiperidine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;6-tert-butylquinoline;2-tert-butylthiophene
CID 165007738
N'-[1-[[4-[5-[[amino(thiophen-2-yl)methylidene]amino]-1H-indol-3-yl]cyclohexyl]-methylamino]-3-(1-methylpyrrolidin-3-yl)indol-5-yl]furan-2-carboximidamide
CID 88972142
2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-(furan-2-yl)ethanimine;2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine
CID 123204204
1-(furan-2-yl)-2-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]ethanimine;4-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylcyclohexan-1-amine;4-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylcyclohex-3-en-1-amine
CID 123653830
2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-(furan-2-yl)ethanimine;2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;2-[3-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine
CID 123724688
cumene;2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylindazole;3-propan-2-yl-2H-indazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 157071553
benzyl furan-2-carboximidothioate;N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]furan-2-carboximidamide;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-nitro-1H-indole;N'-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]furan-2-carboximidamide;hydrobromide
CID 157094338
2-[2-(Cyclohexylmethyl)-1-sulfanylidene-3,4-dihydropyrido[3,4-b]indol-9-yl]acetic acid;2-[2-(furan-2-ylmethyl)-1-sulfanylidene-3,4-dihydropyrido[3,4-b]indol-9-yl]acetic acid;2-[2-(2-phenylethyl)-1-sulfanylidene-3,4-dihydropyrido[3,4-b]indol-9-yl]acetic acid;2-(2-phenyl-1-sulfanylidene-3,4-dihydropyrido[3,4-b]indol-9-yl)acetic acid;2-[1-sulfanylidene-2-(thiophen-2-ylmethyl)-3,4-dihydropyrido[3,4-b]indol-9-yl]acetic acid
CID 157216449
N'-[1-[4-(dimethylamino)butyl]indol-6-yl]thiophene-2-carboximidamide;N'-[1-(1-methylazepan-4-yl)indol-6-yl]thiophene-2-carboximidamide;N'-[1-(3-morpholin-4-ylpropyl)indol-6-yl]furan-2-carboximidamide;N'-[1-(3-morpholin-4-ylpropyl)indol-6-yl]thiophene-2-carboximidamide;N'-[1-(3-morpholin-4-ylpropyl)indol-6-yl]thiophene-3-carboximidamide
CID 157267610
2-fluoro-4-methylaniline;methane;3-methylbenzamide;4-[(3-methylfuran-2-yl)methyl]morpholine;1-[(4-methylfuran-2-yl)methyl]piperazine;1-[(3-methylfuran-2-yl)methyl]pyrrolidine;1-[(4-methylfuran-2-yl)methyl]pyrrolidine;4-methyl-1H-indene;5-methyl-1H-indole;5-methylisoquinoline;1-methyl-4-(5-methyl-2-pyridinyl)piperazine;(3-methylphenyl)methanamine;4-[(2-methylphenyl)methyl]morpholine;4-[(4-methylphenyl)methyl]morpholine;1-(4-methylphenyl)piperidine;1-(4-methylphenyl)pyrrolidin-3-amine;5-methyl-2-piperidin-1-ylpyridine;4-(5-methyl-2-pyridinyl)morpholine;1-(5-methyl-2-pyridinyl)piperidin-4-amine;5-methyl-2-pyrrolidin-1-ylpyridine;4-[(4-methyl-1H-pyrrol-3-yl)methyl]morpholine;5-methyl-1,2,3,4-tetrahydroisoquinoline;4-[(3-methylthiophen-2-yl)methyl]morpholine;N,N,3-trimethylaniline
CID 157394651
2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-(furan-2-yl)ethanimine;2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;2-[3-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;N-ethyl-4-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]cyclohexan-1-amine;2-[3-(3-fluoro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;2-[3-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-1H-indol-5-yl]-1-thiophen-2-ylethanimine;methane
CID 157563357
N'-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]furan-2-carboximidamide;N'-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(dimethylamino)cyclohexen-1-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(dimethylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(ethylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide
CID 157715231

Frequently Asked Questions

What is the IUPAC name of N'-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]furan-2-carboximidamide;N'-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(dimethylamino)cyclohexen-1-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(dimethylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(ethylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]furan-2-carboximidamide?
The IUPAC name of N'-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]furan-2-carboximidamide;N'-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(dimethylamino)cyclohexen-1-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(dimethylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(ethylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]furan-2-carboximidamide (CID 159136816) is N'-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]furan-2-carboximidamide;N'-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(dimethylamino)cyclohexen-1-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(dimethylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(ethylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]furan-2-carboximidamide.
What is the SMILES notation for N'-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]furan-2-carboximidamide;N'-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(dimethylamino)cyclohexen-1-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(dimethylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(ethylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]furan-2-carboximidamide?
The canonical SMILES for N'-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]furan-2-carboximidamide;N'-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(dimethylamino)cyclohexen-1-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(dimethylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(ethylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]furan-2-carboximidamide is CCNC1CCC(c2c[nH]c3ccc(/N=C(\N)c4cccs4)cc23)CC1.CN(C)C1CC=C(c2c[nH]c3ccc(/N=C(\N)c4cccs4)cc23)CC1.CN(C)C1CCC(c2c[nH]c3ccc(/N=C(\N)c4cccs4)cc23)CC1.CN1CCC(c2c[nH]c3ccc(/N=C(\N)c4ccco4)cc23)C1.N/C(=N\c1ccc2[nH]cc(C3=CN4CCC3CC4)c2c1)c1cccs1.N/C(=N\c1ccc2[nH]cc(C3CN4CCC3CC4)c2c1)c1ccco1.N/C(=N\c1ccc2[nH]cc(C3CN4CCC3CC4)c2c1)c1cccs1.
What is the InChIKey of N'-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]furan-2-carboximidamide;N'-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(dimethylamino)cyclohexen-1-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(dimethylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(ethylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]furan-2-carboximidamide?
The InChIKey is KHPDAQFCRIZMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4S.C21H24N4S.C21H26N4S.C20H22N4O.C20H22N4S.C20H20N4S.C18H20N4O/c2*1-25(2)16-8-5-14(6-9-16)18-13-23-19-10-7-15(12-17(18)19)24-21(22)20-4-3-11-26-20;1-2-23-15-7-5-14(6-8-15)18-13-24-19-10-9-16(12-17(18)19)25-21(22)20-4-3-11-26-20;3*21-20(19-2-1-9-25-19)23-14-3-4-18-15(10-14)16(11-22-18)17-12-24-7-5-13(17)6-8-24;1-22-7-6-12(11-22)15-10-20-16-5-4-13(9-14(15)16)21-18(19)17-3-2-8-23-17/h3-4,7,10-14,16,23H,5-6,8-9H2,1-2H3,(H2,22,24);3-5,7,10-13,16,23H,6,8-9H2,1-2H3,(H2,22,24);3-4,9-15,23-24H,2,5-8H2,1H3,(H2,22,25);2*1-4,9-11,13,17,22H,5-8,12H2,(H2,21,23);1-4,9-13,22H,5-8H2,(H2,21,23);2-5,8-10,12,20H,6-7,11H2,1H3,(H2,19,21).
What are the key properties of N'-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]furan-2-carboximidamide;N'-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(dimethylamino)cyclohexen-1-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(dimethylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(ethylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]furan-2-carboximidamide?
N'-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]furan-2-carboximidamide;N'-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(dimethylamino)cyclohexen-1-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(dimethylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(ethylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]furan-2-carboximidamide has a molecular weight of 2439.36 g/mol, XLogP of 29.75, 25 rotatable bonds, 15 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]furan-2-carboximidamide;N'-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(dimethylamino)cyclohexen-1-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(dimethylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(ethylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]furan-2-carboximidamide is sourced from PubChem (CID 159136816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).