3-fluoro-N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-5-methylbenzamide;N-[6-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]pyridine-3-carboxamide

C136H184FN17O12 — CID 159017807

About 3-fluoro-N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-5-methylbenzamide;N-[6-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]pyridine-3-carboxamide

3-fluoro-N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-5-methylbenzamide;N-[6-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]pyridine-3-carboxamide (PubChem CID 159017807) has the molecular formula C136H184FN17O12 and a molecular weight of 2268.07 g/mol. Its IUPAC name is 3-fluoro-N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-5-methylbenzamide;N-[6-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 3-fluoro-N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-5-methylbenzamide;N-[6-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]pyridine-3-carboxamide
• PubChem CID: 159017807
• Molecular Formula: C136H184FN17O12
• Molecular Weight: 2268.07 g/mol
• Exact Mass: 2266.43
• IUPAC Name: 3-fluoro-N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-5-methylbenzamide;N-[6-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]pyridine-3-carboxamide
• SMILES: CC(C)NC(=O)C1CCC(N2/C(=N/C(=O)c3ccccc3)Cc3ccc(CN4CCC(C(C)(C)O)CC4)cc32)CC1.CC(C)NC(=O)C1CCC(N2/C(=N/C(=O)c3cccnc3)Cc3ccc(CN4CCC(C(C)(C)O)CC4)cc32)CC1.Cc1cc(F)cc(C(=O)/N=C2\Cc3ccc(CN4CCC(C(C)(C)O)CC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)c1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCC(C(C)O)CC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1
• InChI: InChI=1S/C35H47FN4O3.2C34H46N4O3.C33H45N5O3/c1-22(2)37-33(41)25-8-10-30(11-9-25)40-31-18-24(21-39-14-12-28(13-15-39)35(4,5)43)6-7-26(31)20-32(40)38-34(42)27-16-23(3)17-29(36)19-27;1-22(2)35-33(40)28-11-13-30(14-12-28)38-31-19-25(21-37-17-15-26(16-18-37)24(4)39)7-10-29(31)20-32(38)36-34(41)27-8-5-23(3)6-9-27;1-23(2)35-32(39)26-12-14-29(15-13-26)38-30-20-24(22-37-18-16-28(17-19-37)34(3,4)41)10-11-27(30)21-31(38)36-33(40)25-8-6-5-7-9-25;1-22(2)35-31(39)24-9-11-28(12-10-24)38-29-18-23(21-37-16-13-27(14-17-37)33(3,4)41)7-8-25(29)19-30(38)36-32(40)26-6-5-15-34-20-26/h6-7,16-19,22,25,28,30,43H,8-15,20-21H2,1-5H3,(H,37,41);5-10,19,22,24,26,28,30,39H,11-18,20-21H2,1-4H3,(H,35,40);5-11,20,23,26,28-29,41H,12-19,21-22H2,1-4H3,(H,35,39);5-8,15,18,20,22,24,27-28,41H,9-14,16-17,19,21H2,1-4H3,(H,35,39)/b38-32+;36-32+;36-31+;36-30+
• InChIKey: JTHSHHYNDVNHEE-JBLRMNGOSA-N
• XLogP: 21.18
• TPSA: 353.85 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 17
• Rotatable Bonds: 28
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2268.07
LogP ≤ 5	21.18
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-5-methylbenzamide;N-[6-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]pyridine-3-carboxamide?

The IUPAC name of 3-fluoro-N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-5-methylbenzamide;N-[6-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]pyridine-3-carboxamide (CID 159017807) is 3-fluoro-N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-5-methylbenzamide;N-[6-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]pyridine-3-carboxamide.

What is the SMILES notation for 3-fluoro-N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-5-methylbenzamide;N-[6-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]pyridine-3-carboxamide?

The canonical SMILES for 3-fluoro-N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-5-methylbenzamide;N-[6-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]pyridine-3-carboxamide is CC(C)NC(=O)C1CCC(N2/C(=N/C(=O)c3ccccc3)Cc3ccc(CN4CCC(C(C)(C)O)CC4)cc32)CC1.CC(C)NC(=O)C1CCC(N2/C(=N/C(=O)c3cccnc3)Cc3ccc(CN4CCC(C(C)(C)O)CC4)cc32)CC1.Cc1cc(F)cc(C(=O)/N=C2\Cc3ccc(CN4CCC(C(C)(C)O)CC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)c1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCC(C(C)O)CC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.

What is the InChIKey of 3-fluoro-N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-5-methylbenzamide;N-[6-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]pyridine-3-carboxamide?

The InChIKey is JTHSHHYNDVNHEE-JBLRMNGOSA-N. The full InChI is InChI=1S/C35H47FN4O3.2C34H46N4O3.C33H45N5O3/c1-22(2)37-33(41)25-8-10-30(11-9-25)40-31-18-24(21-39-14-12-28(13-15-39)35(4,5)43)6-7-26(31)20-32(40)38-34(42)27-16-23(3)17-29(36)19-27;1-22(2)35-33(40)28-11-13-30(14-12-28)38-31-19-25(21-37-17-15-26(16-18-37)24(4)39)7-10-29(31)20-32(38)36-34(41)27-8-5-23(3)6-9-27;1-23(2)35-32(39)26-12-14-29(15-13-26)38-30-20-24(22-37-18-16-28(17-19-37)34(3,4)41)10-11-27(30)21-31(38)36-33(40)25-8-6-5-7-9-25;1-22(2)35-31(39)24-9-11-28(12-10-24)38-29-18-23(21-37-16-13-27(14-17-37)33(3,4)41)7-8-25(29)19-30(38)36-32(40)26-6-5-15-34-20-26/h6-7,16-19,22,25,28,30,43H,8-15,20-21H2,1-5H3,(H,37,41);5-10,19,22,24,26,28,30,39H,11-18,20-21H2,1-4H3,(H,35,40);5-11,20,23,26,28-29,41H,12-19,21-22H2,1-4H3,(H,35,39);5-8,15,18,20,22,24,27-28,41H,9-14,16-17,19,21H2,1-4H3,(H,35,39)/b38-32+;36-32+;36-31+;36-30+.

What are the key properties of 3-fluoro-N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-5-methylbenzamide;N-[6-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]pyridine-3-carboxamide?

3-fluoro-N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-5-methylbenzamide;N-[6-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]pyridine-3-carboxamide has a molecular weight of 2268.07 g/mol, XLogP of 21.18, 28 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-5-methylbenzamide;N-[6-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]pyridine-3-carboxamide is sourced from PubChem (CID 159017807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).