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-(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]-4-methylbenzamide

C104H141FN12O9 — CID 159224836

IUPAC3-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-(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]-4-methylbenzamide
SMILESCC(C)NC(=O)C1CCC(N2/C(=N/C(=O)c3ccccc3)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)(C)O)CC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1
InChIInChI=1S/C35H47FN4O3.C35H48N4O3.C34H46N4O3/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;1-23(2)36-33(40)27-12-14-30(15-13-27)39-31-20-25(22-38-18-16-29(17-19-38)35(4,5)42)8-11-28(31)21-32(39)37-34(41)26-9-6-24(3)7-10-26;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/h6-7,16-19,22,25,28,30,43H,8-15,20-21H2,1-5H3,(H,37,41);6-11,20,23,27,29-30,42H,12-19,21-22H2,1-5H3,(H,36,40);5-11,20,23,26,28-29,41H,12-19,21-22H2,1-4H3,(H,35,39)/b38-32+;37-32+;36-31+
InChIKeyKSDROZBYRXITDZ-VZSOPQSDSA-N
MW1722.34 g/mol
LogP16.82
Rot. Bonds21

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-(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]-4-methylbenzamide

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-(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]-4-methylbenzamide (PubChem CID 159224836) has the molecular formula C104H141FN12O9 and a molecular weight of 1722.34 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-(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]-4-methylbenzamide.

Molecular Properties

Compound Name3-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-(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]-4-methylbenzamide
PubChem CID159224836
Molecular FormulaC104H141FN12O9
Molecular Weight1722.34 g/mol
Exact Mass1721.09
IUPAC Name3-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-(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]-4-methylbenzamide
SMILESCC(C)NC(=O)C1CCC(N2/C(=N/C(=O)c3ccccc3)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)(C)O)CC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1
InChIInChI=1S/C35H47FN4O3.C35H48N4O3.C34H46N4O3/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;1-23(2)36-33(40)27-12-14-30(15-13-27)39-31-20-25(22-38-18-16-29(17-19-38)35(4,5)42)8-11-28(31)21-32(39)37-34(41)26-9-6-24(3)7-10-26;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/h6-7,16-19,22,25,28,30,43H,8-15,20-21H2,1-5H3,(H,37,41);6-11,20,23,27,29-30,42H,12-19,21-22H2,1-5H3,(H,36,40);5-11,20,23,26,28-29,41H,12-19,21-22H2,1-4H3,(H,35,39)/b38-32+;37-32+;36-31+
InChIKeyKSDROZBYRXITDZ-VZSOPQSDSA-N
XLogP16.82
TPSA255.72 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds21
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001722.34
LogP ≤ 516.82
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 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-(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]-4-methylbenzamide with MolForge

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Related Compounds

4-fluoro-N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(piperidine-1-carbonyl)cyclohexyl]-3H-indol-2-ylidene]benzamide
CID 146779959
N-[1-(4-carbamoylcyclohexyl)-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-3-fluorobenzamide
CID 147897965
N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-3-(trifluoromethyl)benzamide
CID 148278650
4-fluoro-N-[1-[4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]cyclohexyl]-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]benzamide
CID 148460944
4-cyano-3-fluoro-N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide
CID 148573119
3-cyano-5-fluoro-N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide
CID 148616023
4-fluoro-N-[6-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide
CID 148734564
N-[1-[4-(tert-butylcarbamoyl)cyclohexyl]-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-4-fluorobenzamide
CID 148895696
3-fluoro-N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-[1-(propan-2-ylamino)ethyl]cyclohexyl]-3H-indol-2-ylidene]benzamide
CID 149115499
N-[1-(4-acetamidocyclohexyl)-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-3-fluorobenzamide
CID 149544172
N-[1-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octane-8-carbonyl]cyclohexyl]-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-4-fluorobenzamide
CID 157415330
bis(N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-3-methylbenzamide);N-[6-[[4-(2-hydroxypropan-2-yl)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]-4-methyl-3-(trifluoromethyl)benzamide
CID 158126428

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-(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]-4-methylbenzamide?
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-(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]-4-methylbenzamide (CID 159224836) 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-(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]-4-methylbenzamide.
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-(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]-4-methylbenzamide?
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-(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]-4-methylbenzamide is CC(C)NC(=O)C1CCC(N2/C(=N/C(=O)c3ccccc3)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)(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-(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]-4-methylbenzamide?
The InChIKey is KSDROZBYRXITDZ-VZSOPQSDSA-N. The full InChI is InChI=1S/C35H47FN4O3.C35H48N4O3.C34H46N4O3/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;1-23(2)36-33(40)27-12-14-30(15-13-27)39-31-20-25(22-38-18-16-29(17-19-38)35(4,5)42)8-11-28(31)21-32(39)37-34(41)26-9-6-24(3)7-10-26;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/h6-7,16-19,22,25,28,30,43H,8-15,20-21H2,1-5H3,(H,37,41);6-11,20,23,27,29-30,42H,12-19,21-22H2,1-5H3,(H,36,40);5-11,20,23,26,28-29,41H,12-19,21-22H2,1-4H3,(H,35,39)/b38-32+;37-32+;36-31+.
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-(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]-4-methylbenzamide?
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-(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]-4-methylbenzamide has a molecular weight of 1722.34 g/mol, XLogP of 16.82, 21 rotatable bonds, 6 hydrogen bond donors, and 12 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-(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]-4-methylbenzamide is sourced from PubChem (CID 159224836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).