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

C135H152N28O2S5 — CID 159385358

About 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

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 (PubChem CID 159385358) has the molecular formula C135H152N28O2S5 and a molecular weight of 2359.23 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 159385358
• Molecular Formula: C135H152N28O2S5
• Molecular Weight: 2359.23 g/mol
• Exact Mass: 2357.13
• IUPAC Name: 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
• SMILES: CN1C2C=C(c3c[nH]c4ccc(/N=C(\N)c5cccs5)cc34)CC1CC2.CN1CCC(c2c[nH]c3ccc(/N=C(\N)c4cccs4)cc23)C1.CN1CCCC1Cc1c[nH]c2ccc(/N=C(\N)c3ccco3)cc12.CN1CCC[C@@H]1Cc1c[nH]c2ccc(/N=C(\N)c3ccco3)cc12.CN1CCC[C@@H]1Cc1c[nH]c2ccc(/N=C(\N)c3cccs3)cc12.CN1CCC[C@H]1Cc1c[nH]c2ccc(/N=C(\N)c3cccs3)cc12.CNC1CC=C(c2c[nH]c3ccc(/N=C(\N)c4cccs4)cc23)CC1
• InChI: InChI=1S/C21H22N4S.C20H22N4S.2C19H22N4O.2C19H22N4S.C18H20N4S/c1-25-15-5-6-16(25)10-13(9-15)18-12-23-19-7-4-14(11-17(18)19)24-21(22)20-3-2-8-26-20;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;4*1-23-8-2-4-15(23)10-13-12-21-17-7-6-14(11-16(13)17)22-19(20)18-5-3-9-24-18;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/h2-4,7-9,11-12,15-16,23H,5-6,10H2,1H3,(H2,22,24);2-4,8-12,14,22-23H,5-7H2,1H3,(H2,21,24);4*3,5-7,9,11-12,15,21H,2,4,8,10H2,1H3,(H2,20,22);2-5,8-10,12,20H,6-7,11H2,1H3,(H2,19,21)/t;;15-;;2*15-;/m..1.10./s1
• InChIKey: LLKQKNQDDNIXCU-CYAIRSISSA-N
• XLogP: 27.30
• TPSA: 436.94 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 21
• Rotatable Bonds: 26
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2359.23
LogP ≤ 5	27.30
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CN1C2C=C(c3c[nH]c4ccc(/N=C(\N)c5cccs5)cc34)CC1CC2.CN1CCC(c2c[nH]c3ccc(/N=C(\N)c4cccs4)cc23)C1.CN1CCCC1Cc1c[nH]c2ccc(/N=C(\N)c3ccco3)cc12.CN1CCC[C@@H]1Cc1c[nH]c2ccc(/N=C(\N)c3ccco3)cc12.CN1CCC[C@@H]1Cc1c[nH]c2ccc(/N=C(\N)c3cccs3)cc12.CN1CCC[C@H]1Cc1c[nH]c2ccc(/N=C(\N)c3cccs3)cc12.CNC1CC=C(c2c[nH]c3ccc(/N=C(\N)c4cccs4)cc23)CC1.

What is the InChIKey of 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?

The InChIKey is LLKQKNQDDNIXCU-CYAIRSISSA-N. The full InChI is InChI=1S/C21H22N4S.C20H22N4S.2C19H22N4O.2C19H22N4S.C18H20N4S/c1-25-15-5-6-16(25)10-13(9-15)18-12-23-19-7-4-14(11-17(18)19)24-21(22)20-3-2-8-26-20;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;4*1-23-8-2-4-15(23)10-13-12-21-17-7-6-14(11-16(13)17)22-19(20)18-5-3-9-24-18;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/h2-4,7-9,11-12,15-16,23H,5-6,10H2,1H3,(H2,22,24);2-4,8-12,14,22-23H,5-7H2,1H3,(H2,21,24);4*3,5-7,9,11-12,15,21H,2,4,8,10H2,1H3,(H2,20,22);2-5,8-10,12,20H,6-7,11H2,1H3,(H2,19,21)/t;;15-;;2*15-;/m..1.10./s1.

What are the key properties of 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?

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 has a molecular weight of 2359.23 g/mol, XLogP of 27.30, 26 rotatable bonds, 15 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 159385358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).