2-(cyclohexylmethyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione;2-(furan-2-ylmethyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione;2-phenyl-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione;2-(2-phenylethyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione;2-(thiophen-2-ylmethyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione

C86H82N10OS6 — CID 161316673

IUPAC2-(cyclohexylmethyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione;2-(furan-2-ylmethyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione;2-phenyl-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione;2-(2-phenylethyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione;2-(thiophen-2-ylmethyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione
SMILESS=C1c2[nH]c3ccccc3c2CCN1CC1CCCCC1.S=C1c2[nH]c3ccccc3c2CCN1CCc1ccccc1.S=C1c2[nH]c3ccccc3c2CCN1Cc1ccco1.S=C1c2[nH]c3ccccc3c2CCN1Cc1cccs1.S=C1c2[nH]c3ccccc3c2CCN1c1ccccc1
InChIInChI=1S/C19H18N2S.C18H22N2S.C17H14N2S.C16H14N2OS.C16H14N2S2/c22-19-18-16(15-8-4-5-9-17(15)20-18)11-13-21(19)12-10-14-6-2-1-3-7-14;21-18-17-15(14-8-4-5-9-16(14)19-17)10-11-20(18)12-13-6-2-1-3-7-13;20-17-16-14(13-8-4-5-9-15(13)18-16)10-11-19(17)12-6-2-1-3-7-12;20-16-15-13(12-5-1-2-6-14(12)17-15)7-8-18(16)10-11-4-3-9-19-11;19-16-15-13(12-5-1-2-6-14(12)17-15)7-8-18(16)10-11-4-3-9-20-11/h1-9,20H,10-13H2;4-5,8-9,13,19H,1-3,6-7,10-12H2;1-9,18H,10-11H2;2*1-6,9,17H,7-8,10H2
InChIKeyVJOXWBLOJWKSDP-UHFFFAOYSA-N
MW1464.07 g/mol
LogP19.59
Rot. Bonds10

About 2-(cyclohexylmethyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione;2-(furan-2-ylmethyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione;2-phenyl-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione;2-(2-phenylethyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione;2-(thiophen-2-ylmethyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione

2-(cyclohexylmethyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione;2-(furan-2-ylmethyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione;2-phenyl-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione;2-(2-phenylethyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione;2-(thiophen-2-ylmethyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione (PubChem CID 161316673) has the molecular formula C86H82N10OS6 and a molecular weight of 1464.07 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione;2-(furan-2-ylmethyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione;2-phenyl-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione;2-(2-phenylethyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione;2-(thiophen-2-ylmethyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione;2-(furan-2-ylmethyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione;2-phenyl-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione;2-(2-phenylethyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione;2-(thiophen-2-ylmethyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione
PubChem CID161316673
Molecular FormulaC86H82N10OS6
Molecular Weight1464.07 g/mol
Exact Mass1462.50
IUPAC Name2-(cyclohexylmethyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione;2-(furan-2-ylmethyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione;2-phenyl-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione;2-(2-phenylethyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione;2-(thiophen-2-ylmethyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione
SMILESS=C1c2[nH]c3ccccc3c2CCN1CC1CCCCC1.S=C1c2[nH]c3ccccc3c2CCN1CCc1ccccc1.S=C1c2[nH]c3ccccc3c2CCN1Cc1ccco1.S=C1c2[nH]c3ccccc3c2CCN1Cc1cccs1.S=C1c2[nH]c3ccccc3c2CCN1c1ccccc1
InChIInChI=1S/C19H18N2S.C18H22N2S.C17H14N2S.C16H14N2OS.C16H14N2S2/c22-19-18-16(15-8-4-5-9-17(15)20-18)11-13-21(19)12-10-14-6-2-1-3-7-14;21-18-17-15(14-8-4-5-9-16(14)19-17)10-11-20(18)12-13-6-2-1-3-7-13;20-17-16-14(13-8-4-5-9-15(13)18-16)10-11-19(17)12-6-2-1-3-7-12;20-16-15-13(12-5-1-2-6-14(12)17-15)7-8-18(16)10-11-4-3-9-19-11;19-16-15-13(12-5-1-2-6-14(12)17-15)7-8-18(16)10-11-4-3-9-20-11/h1-9,20H,10-13H2;4-5,8-9,13,19H,1-3,6-7,10-12H2;1-9,18H,10-11H2;2*1-6,9,17H,7-8,10H2
InChIKeyVJOXWBLOJWKSDP-UHFFFAOYSA-N
XLogP19.59
TPSA108.29 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms103
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001464.07
LogP ≤ 519.59
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-(cyclohexylmethyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione;2-(furan-2-ylmethyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione;2-phenyl-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione;2-(2-phenylethyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione;2-(thiophen-2-ylmethyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione with MolForge

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Related Compounds

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
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
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
3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-amine;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;3-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-1H-indol-5-amine;N'-[3-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;3-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-5-nitro-1H-indole;benzyl furan-2-carboximidothioate;bis(methyl thiophene-2-carboximidothioate)
CID 157978400
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
benzyl furan-2-carboximidothioate;N-benzyl-3-(1-methylpyrrolidin-3-yl)-1H-indol-5-amine;3-(1-methylpyrrolidin-3-yl)-1H-indol-5-amine;N'-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]furan-2-carboximidamide;N'-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;methyl thiophene-2-carboximidothioate
CID 159154565
2,3-dimethyl-6-pyridin-3-ylpyridine;2,3-dimethyl-6-pyridin-4-ylpyridine;4,5-dimethyl-2-pyridin-2-ylpyridine;2,4-dipyridin-2-ylpyridine;2-(furan-2-yl)pyridine;2-phenylpyridine;2-pyridin-2-yl-1H-indole;3-pyridin-3-ylpyridine;2-thiophen-2-ylpyridine
CID 159251545
N'-[3-[4-(methylamino)cyclohexen-1-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]furan-2-carboximidamide;N'-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]furan-2-carboximidamide;N'-[3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]thiophene-2-carboximidamide
CID 159385358
2-[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;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
CID 159632114
N'-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]furan-2-carboximidamide;N'-[[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]methyl]thiophene-2-carboximidamide;N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]furan-2-carboximidamide;N'-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide
CID 159644121
1-(furan-2-yl)-2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]ethanimine;1-(furan-2-yl)-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanimine;2-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylethanamine;N'-[[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]methyl]thiophene-2-carboximidamide;2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;2-[3-(3-morpholin-4-ylpropyl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine
CID 160078670

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione;2-(furan-2-ylmethyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione;2-phenyl-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione;2-(2-phenylethyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione;2-(thiophen-2-ylmethyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione?
The IUPAC name of 2-(cyclohexylmethyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione;2-(furan-2-ylmethyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione;2-phenyl-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione;2-(2-phenylethyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione;2-(thiophen-2-ylmethyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione (CID 161316673) is 2-(cyclohexylmethyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione;2-(furan-2-ylmethyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione;2-phenyl-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione;2-(2-phenylethyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione;2-(thiophen-2-ylmethyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione.
What is the SMILES notation for 2-(cyclohexylmethyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione;2-(furan-2-ylmethyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione;2-phenyl-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione;2-(2-phenylethyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione;2-(thiophen-2-ylmethyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione?
The canonical SMILES for 2-(cyclohexylmethyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione;2-(furan-2-ylmethyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione;2-phenyl-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione;2-(2-phenylethyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione;2-(thiophen-2-ylmethyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione is S=C1c2[nH]c3ccccc3c2CCN1CC1CCCCC1.S=C1c2[nH]c3ccccc3c2CCN1CCc1ccccc1.S=C1c2[nH]c3ccccc3c2CCN1Cc1ccco1.S=C1c2[nH]c3ccccc3c2CCN1Cc1cccs1.S=C1c2[nH]c3ccccc3c2CCN1c1ccccc1.
What is the InChIKey of 2-(cyclohexylmethyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione;2-(furan-2-ylmethyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione;2-phenyl-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione;2-(2-phenylethyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione;2-(thiophen-2-ylmethyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione?
The InChIKey is VJOXWBLOJWKSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2S.C18H22N2S.C17H14N2S.C16H14N2OS.C16H14N2S2/c22-19-18-16(15-8-4-5-9-17(15)20-18)11-13-21(19)12-10-14-6-2-1-3-7-14;21-18-17-15(14-8-4-5-9-16(14)19-17)10-11-20(18)12-13-6-2-1-3-7-13;20-17-16-14(13-8-4-5-9-15(13)18-16)10-11-19(17)12-6-2-1-3-7-12;20-16-15-13(12-5-1-2-6-14(12)17-15)7-8-18(16)10-11-4-3-9-19-11;19-16-15-13(12-5-1-2-6-14(12)17-15)7-8-18(16)10-11-4-3-9-20-11/h1-9,20H,10-13H2;4-5,8-9,13,19H,1-3,6-7,10-12H2;1-9,18H,10-11H2;2*1-6,9,17H,7-8,10H2.
What are the key properties of 2-(cyclohexylmethyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione;2-(furan-2-ylmethyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione;2-phenyl-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione;2-(2-phenylethyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione;2-(thiophen-2-ylmethyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione?
2-(cyclohexylmethyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione;2-(furan-2-ylmethyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione;2-phenyl-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione;2-(2-phenylethyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione;2-(thiophen-2-ylmethyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione has a molecular weight of 1464.07 g/mol, XLogP of 19.59, 10 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione;2-(furan-2-ylmethyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione;2-phenyl-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione;2-(2-phenylethyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione;2-(thiophen-2-ylmethyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-thione is sourced from PubChem (CID 161316673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).