N-[6-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[3-(2-hydroxypropan-2-yl)azetidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-(piperazin-1-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide

C127H166F2N18O11S — CID 158396054

About N-[6-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[3-(2-hydroxypropan-2-yl)azetidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-(piperazin-1-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide

N-[6-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[3-(2-hydroxypropan-2-yl)azetidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-(piperazin-1-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide (PubChem CID 158396054) has the molecular formula C127H166F2N18O11S and a molecular weight of 2190.90 g/mol. Its IUPAC name is N-[6-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[3-(2-hydroxypropan-2-yl)azetidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-(piperazin-1-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide.

Molecular Properties

• Compound Name: N-[6-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[3-(2-hydroxypropan-2-yl)azetidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-(piperazin-1-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide
• PubChem CID: 158396054
• Molecular Formula: C127H166F2N18O11S
• Molecular Weight: 2190.90 g/mol
• Exact Mass: 2189.27
• IUPAC Name: N-[6-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[3-(2-hydroxypropan-2-yl)azetidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-(piperazin-1-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide
• SMILES: Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CC(C(C)(C)O)C4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCC(F)(F)C4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCN(S(C)(=O)=O)CC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCNCC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1
• InChI: InChI=1S/C33H44N4O3.C32H43N5O4S.C31H38F2N4O2.C31H41N5O2/c1-21(2)34-31(38)25-12-14-28(15-13-25)37-29-16-23(18-36-19-27(20-36)33(4,5)40)8-11-26(29)17-30(37)35-32(39)24-9-6-22(3)7-10-24;1-22(2)33-31(38)26-11-13-28(14-12-26)37-29-19-24(21-35-15-17-36(18-16-35)42(4,40)41)7-10-27(29)20-30(37)34-32(39)25-8-5-23(3)6-9-25;1-20(2)34-29(38)24-10-12-26(13-11-24)37-27-16-22(18-36-15-14-31(32,33)19-36)6-9-25(27)17-28(37)35-30(39)23-7-4-21(3)5-8-23;1-21(2)33-30(37)25-10-12-27(13-11-25)36-28-18-23(20-35-16-14-32-15-17-35)6-9-26(28)19-29(36)34-31(38)24-7-4-22(3)5-8-24/h6-11,16,21,25,27-28,40H,12-15,17-20H2,1-5H3,(H,34,38);5-10,19,22,26,28H,11-18,20-21H2,1-4H3,(H,33,38);4-9,16,20,24,26H,10-15,17-19H2,1-3H3,(H,34,38);4-9,18,21,25,27,32H,10-17,19-20H2,1-3H3,(H,33,37)/b35-30+;34-30+;35-28+;34-29+
• InChIKey: GXODBZWAOCAMGN-RMSUGYHKSA-N
• XLogP: 18.25
• TPSA: 329.68 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 16
• Rotatable Bonds: 26
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2190.90
LogP ≤ 5	18.25
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[6-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[3-(2-hydroxypropan-2-yl)azetidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-(piperazin-1-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide?

The IUPAC name of N-[6-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[3-(2-hydroxypropan-2-yl)azetidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-(piperazin-1-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide (CID 158396054) is N-[6-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[3-(2-hydroxypropan-2-yl)azetidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-(piperazin-1-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide.

What is the SMILES notation for N-[6-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[3-(2-hydroxypropan-2-yl)azetidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-(piperazin-1-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide?

The canonical SMILES for N-[6-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[3-(2-hydroxypropan-2-yl)azetidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-(piperazin-1-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide is Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CC(C(C)(C)O)C4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCC(F)(F)C4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCN(S(C)(=O)=O)CC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCNCC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.

What is the InChIKey of N-[6-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[3-(2-hydroxypropan-2-yl)azetidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-(piperazin-1-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide?

The InChIKey is GXODBZWAOCAMGN-RMSUGYHKSA-N. The full InChI is InChI=1S/C33H44N4O3.C32H43N5O4S.C31H38F2N4O2.C31H41N5O2/c1-21(2)34-31(38)25-12-14-28(15-13-25)37-29-16-23(18-36-19-27(20-36)33(4,5)40)8-11-26(29)17-30(37)35-32(39)24-9-6-22(3)7-10-24;1-22(2)33-31(38)26-11-13-28(14-12-26)37-29-19-24(21-35-15-17-36(18-16-35)42(4,40)41)7-10-27(29)20-30(37)34-32(39)25-8-5-23(3)6-9-25;1-20(2)34-29(38)24-10-12-26(13-11-24)37-27-16-22(18-36-15-14-31(32,33)19-36)6-9-25(27)17-28(37)35-30(39)23-7-4-21(3)5-8-23;1-21(2)33-30(37)25-10-12-27(13-11-25)36-28-18-23(20-35-16-14-32-15-17-35)6-9-26(28)19-29(36)34-31(38)24-7-4-22(3)5-8-24/h6-11,16,21,25,27-28,40H,12-15,17-20H2,1-5H3,(H,34,38);5-10,19,22,26,28H,11-18,20-21H2,1-4H3,(H,33,38);4-9,16,20,24,26H,10-15,17-19H2,1-3H3,(H,34,38);4-9,18,21,25,27,32H,10-17,19-20H2,1-3H3,(H,33,37)/b35-30+;34-30+;35-28+;34-29+.

What are the key properties of N-[6-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[3-(2-hydroxypropan-2-yl)azetidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-(piperazin-1-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide?

N-[6-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[3-(2-hydroxypropan-2-yl)azetidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-(piperazin-1-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide has a molecular weight of 2190.90 g/mol, XLogP of 18.25, 26 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[3-(2-hydroxypropan-2-yl)azetidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-(piperazin-1-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide is sourced from PubChem (CID 158396054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).