2-[[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-(hydroxymethyl)-4-methoxypyrrol-2-ylidene]indol-3-yl]methylamino]ethanol;4-[[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indol-3-yl]methyl]morpholine;2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]-3-[(4-phenylpiperazin-1-yl)methyl]indole

C80H89N13O6 — CID 160547571

IUPAC2-[[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-(hydroxymethyl)-4-methoxypyrrol-2-ylidene]indol-3-yl]methylamino]ethanol;4-[[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indol-3-yl]methyl]morpholine;2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]-3-[(4-phenylpiperazin-1-yl)methyl]indole
SMILESCOc1c(CO)c(=C2N=c3ccccc3=C2CNCCO)[nH]/c1=C\c1[nH]c(C)cc1C.COc1cc(=C2N=c3ccccc3=C2CN2CCN(c3ccccc3)CC2)[nH]/c1=C\c1[nH]c(C)cc1C.COc1cc(=C2N=c3ccccc3=C2CN2CCOCC2)[nH]/c1=C\c1[nH]c(C)cc1C
InChIInChI=1S/C31H33N5O.C25H28N4O2.C24H28N4O3/c1-21-17-22(2)32-27(21)18-28-30(37-3)19-29(33-28)31-25(24-11-7-8-12-26(24)34-31)20-35-13-15-36(16-14-35)23-9-5-4-6-10-23;1-16-12-17(2)26-21(16)13-22-24(30-3)14-23(27-22)25-19(15-29-8-10-31-11-9-29)18-6-4-5-7-20(18)28-25;1-14-10-15(2)26-20(14)11-21-24(31-3)18(13-30)23(28-21)22-17(12-25-8-9-29)16-6-4-5-7-19(16)27-22/h4-12,17-19,32-33H,13-16,20H2,1-3H3;4-7,12-14,26-27H,8-11,15H2,1-3H3;4-7,10-11,25-26,28-30H,8-9,12-13H2,1-3H3/b28-18-,31-29?;22-13-,25-23?;21-11-,23-22?
InChIKeyXEDDPGYBLKHNOF-OLVLMBTBSA-N
MW1328.68 g/mol
LogP2.40
Rot. Bonds16

About 2-[[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-(hydroxymethyl)-4-methoxypyrrol-2-ylidene]indol-3-yl]methylamino]ethanol;4-[[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indol-3-yl]methyl]morpholine;2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]-3-[(4-phenylpiperazin-1-yl)methyl]indole

2-[[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-(hydroxymethyl)-4-methoxypyrrol-2-ylidene]indol-3-yl]methylamino]ethanol;4-[[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indol-3-yl]methyl]morpholine;2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]-3-[(4-phenylpiperazin-1-yl)methyl]indole (PubChem CID 160547571) has the molecular formula C80H89N13O6 and a molecular weight of 1328.68 g/mol. Its IUPAC name is 2-[[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-(hydroxymethyl)-4-methoxypyrrol-2-ylidene]indol-3-yl]methylamino]ethanol;4-[[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indol-3-yl]methyl]morpholine;2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]-3-[(4-phenylpiperazin-1-yl)methyl]indole.

Molecular Properties

Compound Name2-[[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-(hydroxymethyl)-4-methoxypyrrol-2-ylidene]indol-3-yl]methylamino]ethanol;4-[[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indol-3-yl]methyl]morpholine;2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]-3-[(4-phenylpiperazin-1-yl)methyl]indole
PubChem CID160547571
Molecular FormulaC80H89N13O6
Molecular Weight1328.68 g/mol
Exact Mass1327.71
IUPAC Name2-[[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-(hydroxymethyl)-4-methoxypyrrol-2-ylidene]indol-3-yl]methylamino]ethanol;4-[[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indol-3-yl]methyl]morpholine;2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]-3-[(4-phenylpiperazin-1-yl)methyl]indole
SMILESCOc1c(CO)c(=C2N=c3ccccc3=C2CNCCO)[nH]/c1=C\c1[nH]c(C)cc1C.COc1cc(=C2N=c3ccccc3=C2CN2CCN(c3ccccc3)CC2)[nH]/c1=C\c1[nH]c(C)cc1C.COc1cc(=C2N=c3ccccc3=C2CN2CCOCC2)[nH]/c1=C\c1[nH]c(C)cc1C
InChIInChI=1S/C31H33N5O.C25H28N4O2.C24H28N4O3/c1-21-17-22(2)32-27(21)18-28-30(37-3)19-29(33-28)31-25(24-11-7-8-12-26(24)34-31)20-35-13-15-36(16-14-35)23-9-5-4-6-10-23;1-16-12-17(2)26-21(16)13-22-24(30-3)14-23(27-22)25-19(15-29-8-10-31-11-9-29)18-6-4-5-7-20(18)28-25;1-14-10-15(2)26-20(14)11-21-24(31-3)18(13-30)23(28-21)22-17(12-25-8-9-29)16-6-4-5-7-19(16)27-22/h4-12,17-19,32-33H,13-16,20H2,1-3H3;4-7,12-14,26-27H,8-11,15H2,1-3H3;4-7,10-11,25-26,28-30H,8-9,12-13H2,1-3H3/b28-18-,31-29?;22-13-,25-23?;21-11-,23-22?
InChIKeyXEDDPGYBLKHNOF-OLVLMBTBSA-N
XLogP2.40
TPSA230.95 Ų
H-Bond Donors9
H-Bond Acceptors13
Rotatable Bonds16
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001328.68
LogP ≤ 52.40
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 2-[[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-(hydroxymethyl)-4-methoxypyrrol-2-ylidene]indol-3-yl]methylamino]ethanol;4-[[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indol-3-yl]methyl]morpholine;2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]-3-[(4-phenylpiperazin-1-yl)methyl]indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-(hydroxymethyl)-4-methoxypyrrol-2-ylidene]indol-3-yl]methylamino]ethanol;4-[[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indol-3-yl]methyl]morpholine;2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]-3-[(4-phenylpiperazin-1-yl)methyl]indole?
The IUPAC name of 2-[[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-(hydroxymethyl)-4-methoxypyrrol-2-ylidene]indol-3-yl]methylamino]ethanol;4-[[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indol-3-yl]methyl]morpholine;2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]-3-[(4-phenylpiperazin-1-yl)methyl]indole (CID 160547571) is 2-[[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-(hydroxymethyl)-4-methoxypyrrol-2-ylidene]indol-3-yl]methylamino]ethanol;4-[[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indol-3-yl]methyl]morpholine;2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]-3-[(4-phenylpiperazin-1-yl)methyl]indole.
What is the SMILES notation for 2-[[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-(hydroxymethyl)-4-methoxypyrrol-2-ylidene]indol-3-yl]methylamino]ethanol;4-[[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indol-3-yl]methyl]morpholine;2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]-3-[(4-phenylpiperazin-1-yl)methyl]indole?
The canonical SMILES for 2-[[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-(hydroxymethyl)-4-methoxypyrrol-2-ylidene]indol-3-yl]methylamino]ethanol;4-[[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indol-3-yl]methyl]morpholine;2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]-3-[(4-phenylpiperazin-1-yl)methyl]indole is COc1c(CO)c(=C2N=c3ccccc3=C2CNCCO)[nH]/c1=C\c1[nH]c(C)cc1C.COc1cc(=C2N=c3ccccc3=C2CN2CCN(c3ccccc3)CC2)[nH]/c1=C\c1[nH]c(C)cc1C.COc1cc(=C2N=c3ccccc3=C2CN2CCOCC2)[nH]/c1=C\c1[nH]c(C)cc1C.
What is the InChIKey of 2-[[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-(hydroxymethyl)-4-methoxypyrrol-2-ylidene]indol-3-yl]methylamino]ethanol;4-[[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indol-3-yl]methyl]morpholine;2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]-3-[(4-phenylpiperazin-1-yl)methyl]indole?
The InChIKey is XEDDPGYBLKHNOF-OLVLMBTBSA-N. The full InChI is InChI=1S/C31H33N5O.C25H28N4O2.C24H28N4O3/c1-21-17-22(2)32-27(21)18-28-30(37-3)19-29(33-28)31-25(24-11-7-8-12-26(24)34-31)20-35-13-15-36(16-14-35)23-9-5-4-6-10-23;1-16-12-17(2)26-21(16)13-22-24(30-3)14-23(27-22)25-19(15-29-8-10-31-11-9-29)18-6-4-5-7-20(18)28-25;1-14-10-15(2)26-20(14)11-21-24(31-3)18(13-30)23(28-21)22-17(12-25-8-9-29)16-6-4-5-7-19(16)27-22/h4-12,17-19,32-33H,13-16,20H2,1-3H3;4-7,12-14,26-27H,8-11,15H2,1-3H3;4-7,10-11,25-26,28-30H,8-9,12-13H2,1-3H3/b28-18-,31-29?;22-13-,25-23?;21-11-,23-22?.
What are the key properties of 2-[[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-(hydroxymethyl)-4-methoxypyrrol-2-ylidene]indol-3-yl]methylamino]ethanol;4-[[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indol-3-yl]methyl]morpholine;2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]-3-[(4-phenylpiperazin-1-yl)methyl]indole?
2-[[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-(hydroxymethyl)-4-methoxypyrrol-2-ylidene]indol-3-yl]methylamino]ethanol;4-[[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indol-3-yl]methyl]morpholine;2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]-3-[(4-phenylpiperazin-1-yl)methyl]indole has a molecular weight of 1328.68 g/mol, XLogP of 2.40, 16 rotatable bonds, 9 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-(hydroxymethyl)-4-methoxypyrrol-2-ylidene]indol-3-yl]methylamino]ethanol;4-[[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indol-3-yl]methyl]morpholine;2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]-3-[(4-phenylpiperazin-1-yl)methyl]indole is sourced from PubChem (CID 160547571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).