N-(8-azabicyclo[3.2.1]octan-3-yl)-N-benzyl-1H-indol-5-amine;3-[[1-benzothiophen-5-yl(cyclohexyl)amino]methyl]benzoic acid;5-[benzyl(piperidin-4-yl)amino]-1H-indole-3-carbonitrile;5-[(3-cyanophenyl)methyl-cyclohexylamino]-1-benzothiophene-2-carboxamide;N-cyclohexyl-N-(oxan-4-ylmethyl)-1H-indol-5-amine;3-[[1H-indazol-5-yl(piperidin-4-yl)amino]methyl]benzonitrile

C128H142N18O4S2 — CID 158276090

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-N-benzyl-1H-indol-5-amine;3-[[1-benzothiophen-5-yl(cyclohexyl)amino]methyl]benzoic acid;5-[benzyl(piperidin-4-yl)amino]-1H-indole-3-carbonitrile;5-[(3-cyanophenyl)methyl-cyclohexylamino]-1-benzothiophene-2-carboxamide;N-cyclohexyl-N-(oxan-4-ylmethyl)-1H-indol-5-amine;3-[[1H-indazol-5-yl(piperidin-4-yl)amino]methyl]benzonitrile
SMILESN#Cc1c[nH]c2ccc(N(Cc3ccccc3)C3CCNCC3)cc12.N#Cc1cccc(CN(c2ccc3[nH]ncc3c2)C2CCNCC2)c1.N#Cc1cccc(CN(c2ccc3sc(C(N)=O)cc3c2)C2CCCCC2)c1.O=C(O)c1cccc(CN(c2ccc3sccc3c2)C2CCCCC2)c1.c1cc2cc(N(CC3CCOCC3)C3CCCCC3)ccc2[nH]1.c1ccc(CN(c2ccc3[nH]ccc3c2)C2CC3CCC(C2)N3)cc1
InChIInChI=1S/C23H23N3OS.C22H25N3.C22H23NO2S.C21H22N4.C20H21N5.C20H28N2O/c24-14-16-5-4-6-17(11-16)15-26(19-7-2-1-3-8-19)20-9-10-21-18(12-20)13-22(28-21)23(25)27;1-2-4-16(5-3-1)15-25(21-13-18-6-7-19(14-21)24-18)20-8-9-22-17(12-20)10-11-23-22;24-22(25)18-6-4-5-16(13-18)15-23(19-7-2-1-3-8-19)20-9-10-21-17(14-20)11-12-26-21;22-13-17-14-24-21-7-6-19(12-20(17)21)25(18-8-10-23-11-9-18)15-16-4-2-1-3-5-16;21-12-15-2-1-3-16(10-15)14-25(18-6-8-22-9-7-18)19-4-5-20-17(11-19)13-23-24-20;1-2-4-18(5-3-1)22(15-16-9-12-23-13-10-16)19-6-7-20-17(14-19)8-11-21-20/h4-6,9-13,19H,1-3,7-8,15H2,(H2,25,27);1-5,8-12,18-19,21,23-24H,6-7,13-15H2;4-6,9-14,19H,1-3,7-8,15H2,(H,24,25);1-7,12,14,18,23-24H,8-11,15H2;1-5,10-11,13,18,22H,6-9,14H2,(H,23,24);6-8,11,14,16,18,21H,1-5,9-10,12-13,15H2
InChIKeyGJPUSDXDQQTEJZ-UHFFFAOYSA-N
MW2060.80 g/mol
LogP27.33
Rot. Bonds26

About N-(8-azabicyclo[3.2.1]octan-3-yl)-N-benzyl-1H-indol-5-amine;3-[[1-benzothiophen-5-yl(cyclohexyl)amino]methyl]benzoic acid;5-[benzyl(piperidin-4-yl)amino]-1H-indole-3-carbonitrile;5-[(3-cyanophenyl)methyl-cyclohexylamino]-1-benzothiophene-2-carboxamide;N-cyclohexyl-N-(oxan-4-ylmethyl)-1H-indol-5-amine;3-[[1H-indazol-5-yl(piperidin-4-yl)amino]methyl]benzonitrile

N-(8-azabicyclo[3.2.1]octan-3-yl)-N-benzyl-1H-indol-5-amine;3-[[1-benzothiophen-5-yl(cyclohexyl)amino]methyl]benzoic acid;5-[benzyl(piperidin-4-yl)amino]-1H-indole-3-carbonitrile;5-[(3-cyanophenyl)methyl-cyclohexylamino]-1-benzothiophene-2-carboxamide;N-cyclohexyl-N-(oxan-4-ylmethyl)-1H-indol-5-amine;3-[[1H-indazol-5-yl(piperidin-4-yl)amino]methyl]benzonitrile (PubChem CID 158276090) has the molecular formula C128H142N18O4S2 and a molecular weight of 2060.80 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-benzyl-1H-indol-5-amine;3-[[1-benzothiophen-5-yl(cyclohexyl)amino]methyl]benzoic acid;5-[benzyl(piperidin-4-yl)amino]-1H-indole-3-carbonitrile;5-[(3-cyanophenyl)methyl-cyclohexylamino]-1-benzothiophene-2-carboxamide;N-cyclohexyl-N-(oxan-4-ylmethyl)-1H-indol-5-amine;3-[[1H-indazol-5-yl(piperidin-4-yl)amino]methyl]benzonitrile.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-benzyl-1H-indol-5-amine;3-[[1-benzothiophen-5-yl(cyclohexyl)amino]methyl]benzoic acid;5-[benzyl(piperidin-4-yl)amino]-1H-indole-3-carbonitrile;5-[(3-cyanophenyl)methyl-cyclohexylamino]-1-benzothiophene-2-carboxamide;N-cyclohexyl-N-(oxan-4-ylmethyl)-1H-indol-5-amine;3-[[1H-indazol-5-yl(piperidin-4-yl)amino]methyl]benzonitrile
PubChem CID158276090
Molecular FormulaC128H142N18O4S2
Molecular Weight2060.80 g/mol
Exact Mass2059.09
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-benzyl-1H-indol-5-amine;3-[[1-benzothiophen-5-yl(cyclohexyl)amino]methyl]benzoic acid;5-[benzyl(piperidin-4-yl)amino]-1H-indole-3-carbonitrile;5-[(3-cyanophenyl)methyl-cyclohexylamino]-1-benzothiophene-2-carboxamide;N-cyclohexyl-N-(oxan-4-ylmethyl)-1H-indol-5-amine;3-[[1H-indazol-5-yl(piperidin-4-yl)amino]methyl]benzonitrile
SMILESN#Cc1c[nH]c2ccc(N(Cc3ccccc3)C3CCNCC3)cc12.N#Cc1cccc(CN(c2ccc3[nH]ncc3c2)C2CCNCC2)c1.N#Cc1cccc(CN(c2ccc3sc(C(N)=O)cc3c2)C2CCCCC2)c1.O=C(O)c1cccc(CN(c2ccc3sccc3c2)C2CCCCC2)c1.c1cc2cc(N(CC3CCOCC3)C3CCCCC3)ccc2[nH]1.c1ccc(CN(c2ccc3[nH]ccc3c2)C2CC3CCC(C2)N3)cc1
InChIInChI=1S/C23H23N3OS.C22H25N3.C22H23NO2S.C21H22N4.C20H21N5.C20H28N2O/c24-14-16-5-4-6-17(11-16)15-26(19-7-2-1-3-8-19)20-9-10-21-18(12-20)13-22(28-21)23(25)27;1-2-4-16(5-3-1)15-25(21-13-18-6-7-19(14-21)24-18)20-8-9-22-17(12-20)10-11-23-22;24-22(25)18-6-4-5-16(13-18)15-23(19-7-2-1-3-8-19)20-9-10-21-17(14-20)11-12-26-21;22-13-17-14-24-21-7-6-19(12-20(17)21)25(18-8-10-23-11-9-18)15-16-4-2-1-3-5-16;21-12-15-2-1-3-16(10-15)14-25(18-6-8-22-9-7-18)19-4-5-20-17(11-19)13-23-24-20;1-2-4-18(5-3-1)22(15-16-9-12-23-13-10-16)19-6-7-20-17(14-19)8-11-21-20/h4-6,9-13,19H,1-3,7-8,15H2,(H2,25,27);1-5,8-12,18-19,21,23-24H,6-7,13-15H2;4-6,9-14,19H,1-3,7-8,15H2,(H,24,25);1-7,12,14,18,23-24H,8-11,15H2;1-5,10-11,13,18,22H,6-9,14H2,(H,23,24);6-8,11,14,16,18,21H,1-5,9-10,12-13,15H2
InChIKeyGJPUSDXDQQTEJZ-UHFFFAOYSA-N
XLogP27.33
TPSA292.57 Ų
H-Bond Donors9
H-Bond Acceptors18
Rotatable Bonds26
Heavy Atoms152
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002060.80
LogP ≤ 527.33
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1018

Analyze N-(8-azabicyclo[3.2.1]octan-3-yl)-N-benzyl-1H-indol-5-amine;3-[[1-benzothiophen-5-yl(cyclohexyl)amino]methyl]benzoic acid;5-[benzyl(piperidin-4-yl)amino]-1H-indole-3-carbonitrile;5-[(3-cyanophenyl)methyl-cyclohexylamino]-1-benzothiophene-2-carboxamide;N-cyclohexyl-N-(oxan-4-ylmethyl)-1H-indol-5-amine;3-[[1H-indazol-5-yl(piperidin-4-yl)amino]methyl]benzonitrile with MolForge

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-N-benzyl-1H-indol-5-amine;3-[[1-benzothiophen-5-yl(piperidin-4-yl)amino]methyl]benzoic acid;5-[benzyl(piperidin-4-yl)amino]-1H-indole-3-carbonitrile;5-[(3-cyanophenyl)methyl-piperidin-4-ylamino]-1-benzothiophene-2-carboxamide;3-[[1H-indazol-5-yl(piperidin-4-yl)amino]methyl]benzonitrile;N-(oxan-4-ylmethyl)-N-piperidin-4-yl-1H-indol-5-amine
CID 159988409
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-benzyl-1H-indol-5-amine;3-[[1-benzothiophen-5-yl(piperidin-4-yl)amino]methyl]benzamide;3-[[1-benzothiophen-5-yl(piperidin-4-yl)amino]methyl]benzoic acid;5-[(3-cyanophenyl)methyl-piperidin-4-ylamino]-1-benzothiophene-2-carboxamide;3-[[1H-indazol-5-yl(piperidin-4-yl)amino]methyl]benzonitrile;N-(oxan-4-ylmethyl)-N-piperidin-4-yl-1H-indol-5-amine
CID 160720743

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-benzyl-1H-indol-5-amine;3-[[1-benzothiophen-5-yl(cyclohexyl)amino]methyl]benzoic acid;5-[benzyl(piperidin-4-yl)amino]-1H-indole-3-carbonitrile;5-[(3-cyanophenyl)methyl-cyclohexylamino]-1-benzothiophene-2-carboxamide;N-cyclohexyl-N-(oxan-4-ylmethyl)-1H-indol-5-amine;3-[[1H-indazol-5-yl(piperidin-4-yl)amino]methyl]benzonitrile?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-benzyl-1H-indol-5-amine;3-[[1-benzothiophen-5-yl(cyclohexyl)amino]methyl]benzoic acid;5-[benzyl(piperidin-4-yl)amino]-1H-indole-3-carbonitrile;5-[(3-cyanophenyl)methyl-cyclohexylamino]-1-benzothiophene-2-carboxamide;N-cyclohexyl-N-(oxan-4-ylmethyl)-1H-indol-5-amine;3-[[1H-indazol-5-yl(piperidin-4-yl)amino]methyl]benzonitrile (CID 158276090) is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-benzyl-1H-indol-5-amine;3-[[1-benzothiophen-5-yl(cyclohexyl)amino]methyl]benzoic acid;5-[benzyl(piperidin-4-yl)amino]-1H-indole-3-carbonitrile;5-[(3-cyanophenyl)methyl-cyclohexylamino]-1-benzothiophene-2-carboxamide;N-cyclohexyl-N-(oxan-4-ylmethyl)-1H-indol-5-amine;3-[[1H-indazol-5-yl(piperidin-4-yl)amino]methyl]benzonitrile.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-benzyl-1H-indol-5-amine;3-[[1-benzothiophen-5-yl(cyclohexyl)amino]methyl]benzoic acid;5-[benzyl(piperidin-4-yl)amino]-1H-indole-3-carbonitrile;5-[(3-cyanophenyl)methyl-cyclohexylamino]-1-benzothiophene-2-carboxamide;N-cyclohexyl-N-(oxan-4-ylmethyl)-1H-indol-5-amine;3-[[1H-indazol-5-yl(piperidin-4-yl)amino]methyl]benzonitrile?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-benzyl-1H-indol-5-amine;3-[[1-benzothiophen-5-yl(cyclohexyl)amino]methyl]benzoic acid;5-[benzyl(piperidin-4-yl)amino]-1H-indole-3-carbonitrile;5-[(3-cyanophenyl)methyl-cyclohexylamino]-1-benzothiophene-2-carboxamide;N-cyclohexyl-N-(oxan-4-ylmethyl)-1H-indol-5-amine;3-[[1H-indazol-5-yl(piperidin-4-yl)amino]methyl]benzonitrile is N#Cc1c[nH]c2ccc(N(Cc3ccccc3)C3CCNCC3)cc12.N#Cc1cccc(CN(c2ccc3[nH]ncc3c2)C2CCNCC2)c1.N#Cc1cccc(CN(c2ccc3sc(C(N)=O)cc3c2)C2CCCCC2)c1.O=C(O)c1cccc(CN(c2ccc3sccc3c2)C2CCCCC2)c1.c1cc2cc(N(CC3CCOCC3)C3CCCCC3)ccc2[nH]1.c1ccc(CN(c2ccc3[nH]ccc3c2)C2CC3CCC(C2)N3)cc1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-benzyl-1H-indol-5-amine;3-[[1-benzothiophen-5-yl(cyclohexyl)amino]methyl]benzoic acid;5-[benzyl(piperidin-4-yl)amino]-1H-indole-3-carbonitrile;5-[(3-cyanophenyl)methyl-cyclohexylamino]-1-benzothiophene-2-carboxamide;N-cyclohexyl-N-(oxan-4-ylmethyl)-1H-indol-5-amine;3-[[1H-indazol-5-yl(piperidin-4-yl)amino]methyl]benzonitrile?
The InChIKey is GJPUSDXDQQTEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3OS.C22H25N3.C22H23NO2S.C21H22N4.C20H21N5.C20H28N2O/c24-14-16-5-4-6-17(11-16)15-26(19-7-2-1-3-8-19)20-9-10-21-18(12-20)13-22(28-21)23(25)27;1-2-4-16(5-3-1)15-25(21-13-18-6-7-19(14-21)24-18)20-8-9-22-17(12-20)10-11-23-22;24-22(25)18-6-4-5-16(13-18)15-23(19-7-2-1-3-8-19)20-9-10-21-17(14-20)11-12-26-21;22-13-17-14-24-21-7-6-19(12-20(17)21)25(18-8-10-23-11-9-18)15-16-4-2-1-3-5-16;21-12-15-2-1-3-16(10-15)14-25(18-6-8-22-9-7-18)19-4-5-20-17(11-19)13-23-24-20;1-2-4-18(5-3-1)22(15-16-9-12-23-13-10-16)19-6-7-20-17(14-19)8-11-21-20/h4-6,9-13,19H,1-3,7-8,15H2,(H2,25,27);1-5,8-12,18-19,21,23-24H,6-7,13-15H2;4-6,9-14,19H,1-3,7-8,15H2,(H,24,25);1-7,12,14,18,23-24H,8-11,15H2;1-5,10-11,13,18,22H,6-9,14H2,(H,23,24);6-8,11,14,16,18,21H,1-5,9-10,12-13,15H2.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-benzyl-1H-indol-5-amine;3-[[1-benzothiophen-5-yl(cyclohexyl)amino]methyl]benzoic acid;5-[benzyl(piperidin-4-yl)amino]-1H-indole-3-carbonitrile;5-[(3-cyanophenyl)methyl-cyclohexylamino]-1-benzothiophene-2-carboxamide;N-cyclohexyl-N-(oxan-4-ylmethyl)-1H-indol-5-amine;3-[[1H-indazol-5-yl(piperidin-4-yl)amino]methyl]benzonitrile?
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-benzyl-1H-indol-5-amine;3-[[1-benzothiophen-5-yl(cyclohexyl)amino]methyl]benzoic acid;5-[benzyl(piperidin-4-yl)amino]-1H-indole-3-carbonitrile;5-[(3-cyanophenyl)methyl-cyclohexylamino]-1-benzothiophene-2-carboxamide;N-cyclohexyl-N-(oxan-4-ylmethyl)-1H-indol-5-amine;3-[[1H-indazol-5-yl(piperidin-4-yl)amino]methyl]benzonitrile has a molecular weight of 2060.80 g/mol, XLogP of 27.33, 26 rotatable bonds, 9 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-benzyl-1H-indol-5-amine;3-[[1-benzothiophen-5-yl(cyclohexyl)amino]methyl]benzoic acid;5-[benzyl(piperidin-4-yl)amino]-1H-indole-3-carbonitrile;5-[(3-cyanophenyl)methyl-cyclohexylamino]-1-benzothiophene-2-carboxamide;N-cyclohexyl-N-(oxan-4-ylmethyl)-1H-indol-5-amine;3-[[1H-indazol-5-yl(piperidin-4-yl)amino]methyl]benzonitrile is sourced from PubChem (CID 158276090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).