2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]-N,N-dimethylindole-1-carboxamide;2-[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]indol-1-yl]ethanol;[2-[(5E)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]indol-1-yl]-phenylmethanone;3-[5-[(Z)-(5-indol-2-ylidene-3-methoxypyrrol-2-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propan-1-ol

C95H95N13O8 — CID 158805742

IUPAC2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]-N,N-dimethylindole-1-carboxamide;2-[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]indol-1-yl]ethanol;[2-[(5E)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]indol-1-yl]-phenylmethanone;3-[5-[(Z)-(5-indol-2-ylidene-3-methoxypyrrol-2-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propan-1-ol
SMILESCOC1=CC(c2cc3ccccc3n2C(=O)N(C)C)=N/C1=C\c1[nH]c(C)cc1C.COC1=CC(c2cc3ccccc3n2C(=O)c2ccccc2)=N/C1=C/c1[nH]c(C)cc1C.COC1=CC(c2cc3ccccc3n2CCO)=N/C1=C\c1[nH]c(C)cc1C.COc1cc(=C2C=c3ccccc3=N2)[nH]/c1=C\c1[nH]c(C)c(CCCO)c1C
InChIInChI=1S/C27H23N3O2.C23H24N4O2.C23H25N3O2.C22H23N3O2/c1-17-13-18(2)28-21(17)15-23-26(32-3)16-22(29-23)25-14-20-11-7-8-12-24(20)30(25)27(31)19-9-5-4-6-10-19;1-14-10-15(2)24-17(14)12-19-22(29-5)13-18(25-19)21-11-16-8-6-7-9-20(16)27(21)23(28)26(3)4;1-14-17(8-6-10-27)15(2)24-19(14)12-22-23(28-3)13-21(26-22)20-11-16-7-4-5-9-18(16)25-20;1-14-10-15(2)23-17(14)12-19-22(27-3)13-18(24-19)21-11-16-6-4-5-7-20(16)25(21)8-9-26/h4-16,28H,1-3H3;6-13,24H,1-5H3;4-5,7,9,11-13,24,26-27H,6,8,10H2,1-3H3;4-7,10-13,23,26H,8-9H2,1-3H3/b23-15+;19-12-;21-20?,22-12-;19-12-
InChIKeyAHDDBORTLACSKK-YOSYFKBBSA-N
MW1546.89 g/mol
LogP15.04
Rot. Bonds17

About 2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]-N,N-dimethylindole-1-carboxamide;2-[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]indol-1-yl]ethanol;[2-[(5E)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]indol-1-yl]-phenylmethanone;3-[5-[(Z)-(5-indol-2-ylidene-3-methoxypyrrol-2-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propan-1-ol

2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]-N,N-dimethylindole-1-carboxamide;2-[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]indol-1-yl]ethanol;[2-[(5E)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]indol-1-yl]-phenylmethanone;3-[5-[(Z)-(5-indol-2-ylidene-3-methoxypyrrol-2-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propan-1-ol (PubChem CID 158805742) has the molecular formula C95H95N13O8 and a molecular weight of 1546.89 g/mol. Its IUPAC name is 2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]-N,N-dimethylindole-1-carboxamide;2-[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]indol-1-yl]ethanol;[2-[(5E)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]indol-1-yl]-phenylmethanone;3-[5-[(Z)-(5-indol-2-ylidene-3-methoxypyrrol-2-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propan-1-ol.

Molecular Properties

Compound Name2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]-N,N-dimethylindole-1-carboxamide;2-[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]indol-1-yl]ethanol;[2-[(5E)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]indol-1-yl]-phenylmethanone;3-[5-[(Z)-(5-indol-2-ylidene-3-methoxypyrrol-2-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propan-1-ol
PubChem CID158805742
Molecular FormulaC95H95N13O8
Molecular Weight1546.89 g/mol
Exact Mass1545.74
IUPAC Name2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]-N,N-dimethylindole-1-carboxamide;2-[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]indol-1-yl]ethanol;[2-[(5E)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]indol-1-yl]-phenylmethanone;3-[5-[(Z)-(5-indol-2-ylidene-3-methoxypyrrol-2-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propan-1-ol
SMILESCOC1=CC(c2cc3ccccc3n2C(=O)N(C)C)=N/C1=C\c1[nH]c(C)cc1C.COC1=CC(c2cc3ccccc3n2C(=O)c2ccccc2)=N/C1=C/c1[nH]c(C)cc1C.COC1=CC(c2cc3ccccc3n2CCO)=N/C1=C\c1[nH]c(C)cc1C.COc1cc(=C2C=c3ccccc3=N2)[nH]/c1=C\c1[nH]c(C)c(CCCO)c1C
InChIInChI=1S/C27H23N3O2.C23H24N4O2.C23H25N3O2.C22H23N3O2/c1-17-13-18(2)28-21(17)15-23-26(32-3)16-22(29-23)25-14-20-11-7-8-12-24(20)30(25)27(31)19-9-5-4-6-10-19;1-14-10-15(2)24-17(14)12-19-22(29-5)13-18(25-19)21-11-16-8-6-7-9-20(16)27(21)23(28)26(3)4;1-14-17(8-6-10-27)15(2)24-19(14)12-22-23(28-3)13-21(26-22)20-11-16-7-4-5-9-18(16)25-20;1-14-10-15(2)23-17(14)12-19-22(27-3)13-18(24-19)21-11-16-6-4-5-7-20(16)25(21)8-9-26/h4-16,28H,1-3H3;6-13,24H,1-5H3;4-5,7,9,11-13,24,26-27H,6,8,10H2,1-3H3;4-7,10-13,23,26H,8-9H2,1-3H3/b23-15+;19-12-;21-20?,22-12-;19-12-
InChIKeyAHDDBORTLACSKK-YOSYFKBBSA-N
XLogP15.04
TPSA257.94 Ų
H-Bond Donors7
H-Bond Acceptors15
Rotatable Bonds17
Heavy Atoms116
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001546.89
LogP ≤ 515.04
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1015

Analyze 2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]-N,N-dimethylindole-1-carboxamide;2-[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]indol-1-yl]ethanol;[2-[(5E)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]indol-1-yl]-phenylmethanone;3-[5-[(Z)-(5-indol-2-ylidene-3-methoxypyrrol-2-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]-N,N-dimethylindole-1-carboxamide;2-[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]indol-1-yl]ethanol;[2-[(5E)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]indol-1-yl]-phenylmethanone;3-[5-[(Z)-(5-indol-2-ylidene-3-methoxypyrrol-2-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propan-1-ol?
The IUPAC name of 2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]-N,N-dimethylindole-1-carboxamide;2-[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]indol-1-yl]ethanol;[2-[(5E)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]indol-1-yl]-phenylmethanone;3-[5-[(Z)-(5-indol-2-ylidene-3-methoxypyrrol-2-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propan-1-ol (CID 158805742) is 2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]-N,N-dimethylindole-1-carboxamide;2-[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]indol-1-yl]ethanol;[2-[(5E)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]indol-1-yl]-phenylmethanone;3-[5-[(Z)-(5-indol-2-ylidene-3-methoxypyrrol-2-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propan-1-ol.
What is the SMILES notation for 2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]-N,N-dimethylindole-1-carboxamide;2-[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]indol-1-yl]ethanol;[2-[(5E)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]indol-1-yl]-phenylmethanone;3-[5-[(Z)-(5-indol-2-ylidene-3-methoxypyrrol-2-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propan-1-ol?
The canonical SMILES for 2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]-N,N-dimethylindole-1-carboxamide;2-[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]indol-1-yl]ethanol;[2-[(5E)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]indol-1-yl]-phenylmethanone;3-[5-[(Z)-(5-indol-2-ylidene-3-methoxypyrrol-2-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propan-1-ol is COC1=CC(c2cc3ccccc3n2C(=O)N(C)C)=N/C1=C\c1[nH]c(C)cc1C.COC1=CC(c2cc3ccccc3n2C(=O)c2ccccc2)=N/C1=C/c1[nH]c(C)cc1C.COC1=CC(c2cc3ccccc3n2CCO)=N/C1=C\c1[nH]c(C)cc1C.COc1cc(=C2C=c3ccccc3=N2)[nH]/c1=C\c1[nH]c(C)c(CCCO)c1C.
What is the InChIKey of 2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]-N,N-dimethylindole-1-carboxamide;2-[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]indol-1-yl]ethanol;[2-[(5E)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]indol-1-yl]-phenylmethanone;3-[5-[(Z)-(5-indol-2-ylidene-3-methoxypyrrol-2-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propan-1-ol?
The InChIKey is AHDDBORTLACSKK-YOSYFKBBSA-N. The full InChI is InChI=1S/C27H23N3O2.C23H24N4O2.C23H25N3O2.C22H23N3O2/c1-17-13-18(2)28-21(17)15-23-26(32-3)16-22(29-23)25-14-20-11-7-8-12-24(20)30(25)27(31)19-9-5-4-6-10-19;1-14-10-15(2)24-17(14)12-19-22(29-5)13-18(25-19)21-11-16-8-6-7-9-20(16)27(21)23(28)26(3)4;1-14-17(8-6-10-27)15(2)24-19(14)12-22-23(28-3)13-21(26-22)20-11-16-7-4-5-9-18(16)25-20;1-14-10-15(2)23-17(14)12-19-22(27-3)13-18(24-19)21-11-16-6-4-5-7-20(16)25(21)8-9-26/h4-16,28H,1-3H3;6-13,24H,1-5H3;4-5,7,9,11-13,24,26-27H,6,8,10H2,1-3H3;4-7,10-13,23,26H,8-9H2,1-3H3/b23-15+;19-12-;21-20?,22-12-;19-12-.
What are the key properties of 2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]-N,N-dimethylindole-1-carboxamide;2-[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]indol-1-yl]ethanol;[2-[(5E)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]indol-1-yl]-phenylmethanone;3-[5-[(Z)-(5-indol-2-ylidene-3-methoxypyrrol-2-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propan-1-ol?
2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]-N,N-dimethylindole-1-carboxamide;2-[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]indol-1-yl]ethanol;[2-[(5E)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]indol-1-yl]-phenylmethanone;3-[5-[(Z)-(5-indol-2-ylidene-3-methoxypyrrol-2-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propan-1-ol has a molecular weight of 1546.89 g/mol, XLogP of 15.04, 17 rotatable bonds, 7 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]-N,N-dimethylindole-1-carboxamide;2-[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]indol-1-yl]ethanol;[2-[(5E)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]indol-1-yl]-phenylmethanone;3-[5-[(Z)-(5-indol-2-ylidene-3-methoxypyrrol-2-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propan-1-ol is sourced from PubChem (CID 158805742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).