N'-[3-(1-benzoylpiperidin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(methylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;methyl N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]carbamimidothioate;N'-(3-piperidin-4-yl-1H-indol-5-yl)thiophene-2-carboximidamide;N'-(3-pyridin-4-yl-1H-indol-5-yl)thiophene-2-carboximidamide;N'-[3-[1-(thiophene-2-carboximidoyl)piperidin-4-yl]-1H-indol-5-yl]thiophene-2-carboximidamide

C120H125N25OS7 — CID 158656235

IUPACN'-[3-(1-benzoylpiperidin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(methylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;methyl N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]carbamimidothioate;N'-(3-piperidin-4-yl-1H-indol-5-yl)thiophene-2-carboximidamide;N'-(3-pyridin-4-yl-1H-indol-5-yl)thiophene-2-carboximidamide;N'-[3-[1-(thiophene-2-carboximidoyl)piperidin-4-yl]-1H-indol-5-yl]thiophene-2-carboximidamide
SMILESCNC1CCC(c2c[nH]c3ccc(/N=C(\N)c4cccs4)cc23)CC1.CS/C(N)=N\c1ccc2[nH]cc(C3=CCN(C)CC3)c2c1.N/C(=N\c1ccc2[nH]cc(-c3ccncc3)c2c1)c1cccs1.N/C(=N\c1ccc2[nH]cc(C3CCN(C(=O)c4ccccc4)CC3)c2c1)c1cccs1.N/C(=N\c1ccc2[nH]cc(C3CCNCC3)c2c1)c1cccs1.[H]/N=C(\c1cccs1)N1CCC(c2c[nH]c3ccc(/N=C(\N)c4cccs4)cc23)CC1
InChIInChI=1S/C25H24N4OS.C23H23N5S2.C20H24N4S.C18H20N4S.C18H14N4S.C16H20N4S/c26-24(23-7-4-14-31-23)28-19-8-9-22-20(15-19)21(16-27-22)17-10-12-29(13-11-17)25(30)18-5-2-1-3-6-18;24-22(20-3-1-11-29-20)27-16-5-6-19-17(13-16)18(14-26-19)15-7-9-28(10-8-15)23(25)21-4-2-12-30-21;1-22-14-6-4-13(5-7-14)17-12-23-18-9-8-15(11-16(17)18)24-20(21)19-3-2-10-25-19;2*19-18(17-2-1-9-23-17)22-13-3-4-16-14(10-13)15(11-21-16)12-5-7-20-8-6-12;1-20-7-5-11(6-8-20)14-10-18-15-4-3-12(9-13(14)15)19-16(17)21-2/h1-9,14-17,27H,10-13H2,(H2,26,28);1-6,11-15,25-26H,7-10H2,(H2,24,27);2-3,8-14,22-23H,4-7H2,1H3,(H2,21,24);1-4,9-12,20-21H,5-8H2,(H2,19,22);1-11,21H,(H2,19,22);3-5,9-10,18H,6-8H2,1-2H3,(H2,17,19)/b;25-23+;;;;
InChIKeyICEBVYFVTZJKCV-IYRGUWISSA-N
MW2157.96 g/mol
LogP26.59
Rot. Bonds20

About N'-[3-(1-benzoylpiperidin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(methylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;methyl N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]carbamimidothioate;N'-(3-piperidin-4-yl-1H-indol-5-yl)thiophene-2-carboximidamide;N'-(3-pyridin-4-yl-1H-indol-5-yl)thiophene-2-carboximidamide;N'-[3-[1-(thiophene-2-carboximidoyl)piperidin-4-yl]-1H-indol-5-yl]thiophene-2-carboximidamide

N'-[3-(1-benzoylpiperidin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(methylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;methyl N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]carbamimidothioate;N'-(3-piperidin-4-yl-1H-indol-5-yl)thiophene-2-carboximidamide;N'-(3-pyridin-4-yl-1H-indol-5-yl)thiophene-2-carboximidamide;N'-[3-[1-(thiophene-2-carboximidoyl)piperidin-4-yl]-1H-indol-5-yl]thiophene-2-carboximidamide (PubChem CID 158656235) has the molecular formula C120H125N25OS7 and a molecular weight of 2157.96 g/mol. Its IUPAC name is N'-[3-(1-benzoylpiperidin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(methylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;methyl N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]carbamimidothioate;N'-(3-piperidin-4-yl-1H-indol-5-yl)thiophene-2-carboximidamide;N'-(3-pyridin-4-yl-1H-indol-5-yl)thiophene-2-carboximidamide;N'-[3-[1-(thiophene-2-carboximidoyl)piperidin-4-yl]-1H-indol-5-yl]thiophene-2-carboximidamide.

Molecular Properties

Compound NameN'-[3-(1-benzoylpiperidin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(methylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;methyl N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]carbamimidothioate;N'-(3-piperidin-4-yl-1H-indol-5-yl)thiophene-2-carboximidamide;N'-(3-pyridin-4-yl-1H-indol-5-yl)thiophene-2-carboximidamide;N'-[3-[1-(thiophene-2-carboximidoyl)piperidin-4-yl]-1H-indol-5-yl]thiophene-2-carboximidamide
PubChem CID158656235
Molecular FormulaC120H125N25OS7
Molecular Weight2157.96 g/mol
Exact Mass2155.85
IUPAC NameN'-[3-(1-benzoylpiperidin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(methylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;methyl N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]carbamimidothioate;N'-(3-piperidin-4-yl-1H-indol-5-yl)thiophene-2-carboximidamide;N'-(3-pyridin-4-yl-1H-indol-5-yl)thiophene-2-carboximidamide;N'-[3-[1-(thiophene-2-carboximidoyl)piperidin-4-yl]-1H-indol-5-yl]thiophene-2-carboximidamide
SMILESCNC1CCC(c2c[nH]c3ccc(/N=C(\N)c4cccs4)cc23)CC1.CS/C(N)=N\c1ccc2[nH]cc(C3=CCN(C)CC3)c2c1.N/C(=N\c1ccc2[nH]cc(-c3ccncc3)c2c1)c1cccs1.N/C(=N\c1ccc2[nH]cc(C3CCN(C(=O)c4ccccc4)CC3)c2c1)c1cccs1.N/C(=N\c1ccc2[nH]cc(C3CCNCC3)c2c1)c1cccs1.[H]/N=C(\c1cccs1)N1CCC(c2c[nH]c3ccc(/N=C(\N)c4cccs4)cc23)CC1
InChIInChI=1S/C25H24N4OS.C23H23N5S2.C20H24N4S.C18H20N4S.C18H14N4S.C16H20N4S/c26-24(23-7-4-14-31-23)28-19-8-9-22-20(15-19)21(16-27-22)17-10-12-29(13-11-17)25(30)18-5-2-1-3-6-18;24-22(20-3-1-11-29-20)27-16-5-6-19-17(13-16)18(14-26-19)15-7-9-28(10-8-15)23(25)21-4-2-12-30-21;1-22-14-6-4-13(5-7-14)17-12-23-18-9-8-15(11-16(17)18)24-20(21)19-3-2-10-25-19;2*19-18(17-2-1-9-23-17)22-13-3-4-16-14(10-13)15(11-21-16)12-5-7-20-8-6-12;1-20-7-5-11(6-8-20)14-10-18-15-4-3-12(9-13(14)15)19-16(17)21-2/h1-9,14-17,27H,10-13H2,(H2,26,28);1-6,11-15,25-26H,7-10H2,(H2,24,27);2-3,8-14,22-23H,4-7H2,1H3,(H2,21,24);1-4,9-12,20-21H,5-8H2,(H2,19,22);1-11,21H,(H2,19,22);3-5,9-10,18H,6-8H2,1-2H3,(H2,17,19)/b;25-23+;;;;
InChIKeyICEBVYFVTZJKCV-IYRGUWISSA-N
XLogP26.59
TPSA412.61 Ų
H-Bond Donors15
H-Bond Acceptors19
Rotatable Bonds20
Heavy Atoms153
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002157.96
LogP ≤ 526.59
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze N'-[3-(1-benzoylpiperidin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(methylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;methyl N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]carbamimidothioate;N'-(3-piperidin-4-yl-1H-indol-5-yl)thiophene-2-carboximidamide;N'-(3-pyridin-4-yl-1H-indol-5-yl)thiophene-2-carboximidamide;N'-[3-[1-(thiophene-2-carboximidoyl)piperidin-4-yl]-1H-indol-5-yl]thiophene-2-carboximidamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N'-[3-(1-benzoylpiperidin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(methylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;methyl N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]carbamimidothioate;N'-(3-piperidin-4-yl-1H-indol-5-yl)thiophene-2-carboximidamide;N'-(3-pyridin-4-yl-1H-indol-5-yl)thiophene-2-carboximidamide;N'-[3-[1-(thiophene-2-carboximidoyl)piperidin-4-yl]-1H-indol-5-yl]thiophene-2-carboximidamide?
The IUPAC name of N'-[3-(1-benzoylpiperidin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(methylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;methyl N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]carbamimidothioate;N'-(3-piperidin-4-yl-1H-indol-5-yl)thiophene-2-carboximidamide;N'-(3-pyridin-4-yl-1H-indol-5-yl)thiophene-2-carboximidamide;N'-[3-[1-(thiophene-2-carboximidoyl)piperidin-4-yl]-1H-indol-5-yl]thiophene-2-carboximidamide (CID 158656235) is N'-[3-(1-benzoylpiperidin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(methylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;methyl N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]carbamimidothioate;N'-(3-piperidin-4-yl-1H-indol-5-yl)thiophene-2-carboximidamide;N'-(3-pyridin-4-yl-1H-indol-5-yl)thiophene-2-carboximidamide;N'-[3-[1-(thiophene-2-carboximidoyl)piperidin-4-yl]-1H-indol-5-yl]thiophene-2-carboximidamide.
What is the SMILES notation for N'-[3-(1-benzoylpiperidin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(methylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;methyl N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]carbamimidothioate;N'-(3-piperidin-4-yl-1H-indol-5-yl)thiophene-2-carboximidamide;N'-(3-pyridin-4-yl-1H-indol-5-yl)thiophene-2-carboximidamide;N'-[3-[1-(thiophene-2-carboximidoyl)piperidin-4-yl]-1H-indol-5-yl]thiophene-2-carboximidamide?
The canonical SMILES for N'-[3-(1-benzoylpiperidin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(methylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;methyl N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]carbamimidothioate;N'-(3-piperidin-4-yl-1H-indol-5-yl)thiophene-2-carboximidamide;N'-(3-pyridin-4-yl-1H-indol-5-yl)thiophene-2-carboximidamide;N'-[3-[1-(thiophene-2-carboximidoyl)piperidin-4-yl]-1H-indol-5-yl]thiophene-2-carboximidamide is CNC1CCC(c2c[nH]c3ccc(/N=C(\N)c4cccs4)cc23)CC1.CS/C(N)=N\c1ccc2[nH]cc(C3=CCN(C)CC3)c2c1.N/C(=N\c1ccc2[nH]cc(-c3ccncc3)c2c1)c1cccs1.N/C(=N\c1ccc2[nH]cc(C3CCN(C(=O)c4ccccc4)CC3)c2c1)c1cccs1.N/C(=N\c1ccc2[nH]cc(C3CCNCC3)c2c1)c1cccs1.[H]/N=C(\c1cccs1)N1CCC(c2c[nH]c3ccc(/N=C(\N)c4cccs4)cc23)CC1.
What is the InChIKey of N'-[3-(1-benzoylpiperidin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(methylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;methyl N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]carbamimidothioate;N'-(3-piperidin-4-yl-1H-indol-5-yl)thiophene-2-carboximidamide;N'-(3-pyridin-4-yl-1H-indol-5-yl)thiophene-2-carboximidamide;N'-[3-[1-(thiophene-2-carboximidoyl)piperidin-4-yl]-1H-indol-5-yl]thiophene-2-carboximidamide?
The InChIKey is ICEBVYFVTZJKCV-IYRGUWISSA-N. The full InChI is InChI=1S/C25H24N4OS.C23H23N5S2.C20H24N4S.C18H20N4S.C18H14N4S.C16H20N4S/c26-24(23-7-4-14-31-23)28-19-8-9-22-20(15-19)21(16-27-22)17-10-12-29(13-11-17)25(30)18-5-2-1-3-6-18;24-22(20-3-1-11-29-20)27-16-5-6-19-17(13-16)18(14-26-19)15-7-9-28(10-8-15)23(25)21-4-2-12-30-21;1-22-14-6-4-13(5-7-14)17-12-23-18-9-8-15(11-16(17)18)24-20(21)19-3-2-10-25-19;2*19-18(17-2-1-9-23-17)22-13-3-4-16-14(10-13)15(11-21-16)12-5-7-20-8-6-12;1-20-7-5-11(6-8-20)14-10-18-15-4-3-12(9-13(14)15)19-16(17)21-2/h1-9,14-17,27H,10-13H2,(H2,26,28);1-6,11-15,25-26H,7-10H2,(H2,24,27);2-3,8-14,22-23H,4-7H2,1H3,(H2,21,24);1-4,9-12,20-21H,5-8H2,(H2,19,22);1-11,21H,(H2,19,22);3-5,9-10,18H,6-8H2,1-2H3,(H2,17,19)/b;25-23+;;;;.
What are the key properties of N'-[3-(1-benzoylpiperidin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(methylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;methyl N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]carbamimidothioate;N'-(3-piperidin-4-yl-1H-indol-5-yl)thiophene-2-carboximidamide;N'-(3-pyridin-4-yl-1H-indol-5-yl)thiophene-2-carboximidamide;N'-[3-[1-(thiophene-2-carboximidoyl)piperidin-4-yl]-1H-indol-5-yl]thiophene-2-carboximidamide?
N'-[3-(1-benzoylpiperidin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(methylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;methyl N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]carbamimidothioate;N'-(3-piperidin-4-yl-1H-indol-5-yl)thiophene-2-carboximidamide;N'-(3-pyridin-4-yl-1H-indol-5-yl)thiophene-2-carboximidamide;N'-[3-[1-(thiophene-2-carboximidoyl)piperidin-4-yl]-1H-indol-5-yl]thiophene-2-carboximidamide has a molecular weight of 2157.96 g/mol, XLogP of 26.59, 20 rotatable bonds, 15 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(1-benzoylpiperidin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(methylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;methyl N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]carbamimidothioate;N'-(3-piperidin-4-yl-1H-indol-5-yl)thiophene-2-carboximidamide;N'-(3-pyridin-4-yl-1H-indol-5-yl)thiophene-2-carboximidamide;N'-[3-[1-(thiophene-2-carboximidoyl)piperidin-4-yl]-1H-indol-5-yl]thiophene-2-carboximidamide is sourced from PubChem (CID 158656235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).