methyl 3-[(2Z,5E)-2-[[5-[(Z)-(3-ethyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-3-(3-methoxy-2-methyl-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(3-ethyl-4-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]-2-methylpropanoate

C37H46N4O6 — CID 10349201

IUPACmethyl 3-[(2Z,5E)-2-[[5-[(Z)-(3-ethyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-3-(3-methoxy-2-methyl-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(3-ethyl-4-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]-2-methylpropanoate
SMILESCCC1=C(C)C(=O)N=C1/C=c1/[nH]/c(=C\c2[nH]c(/C=C3\NC(=O)C(C)=C3CC)c(C)c2CC(C)C(=O)OC)c(CC(C)C(=O)OC)c1C
InChIInChI=1S/C37H46N4O6/c1-11-24-22(7)34(42)40-30(24)15-28-20(5)26(13-18(3)36(44)46-9)32(38-28)17-33-27(14-19(4)37(45)47-10)21(6)29(39-33)16-31-25(12-2)23(8)35(43)41-31/h15-19,38-39H,11-14H2,1-10H3,(H,40,42)/b29-16+,30-15-,33-17-
InChIKeyDHJKLRZODQQLBQ-LHCGQGKJSA-N
MW642.80 g/mol
LogP4.18
Rot. Bonds11

About methyl 3-[(2Z,5E)-2-[[5-[(Z)-(3-ethyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-3-(3-methoxy-2-methyl-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(3-ethyl-4-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]-2-methylpropanoate

methyl 3-[(2Z,5E)-2-[[5-[(Z)-(3-ethyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-3-(3-methoxy-2-methyl-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(3-ethyl-4-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]-2-methylpropanoate (PubChem CID 10349201) has the molecular formula C37H46N4O6 and a molecular weight of 642.80 g/mol. Its IUPAC name is methyl 3-[(2Z,5E)-2-[[5-[(Z)-(3-ethyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-3-(3-methoxy-2-methyl-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(3-ethyl-4-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(2Z,5E)-2-[[5-[(Z)-(3-ethyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-3-(3-methoxy-2-methyl-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(3-ethyl-4-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]-2-methylpropanoate
PubChem CID10349201
Molecular FormulaC37H46N4O6
Molecular Weight642.80 g/mol
Exact Mass642.34
IUPAC Namemethyl 3-[(2Z,5E)-2-[[5-[(Z)-(3-ethyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-3-(3-methoxy-2-methyl-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(3-ethyl-4-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]-2-methylpropanoate
SMILESCCC1=C(C)C(=O)N=C1/C=c1/[nH]/c(=C\c2[nH]c(/C=C3\NC(=O)C(C)=C3CC)c(C)c2CC(C)C(=O)OC)c(CC(C)C(=O)OC)c1C
InChIInChI=1S/C37H46N4O6/c1-11-24-22(7)34(42)40-30(24)15-28-20(5)26(13-18(3)36(44)46-9)32(38-28)17-33-27(14-19(4)37(45)47-10)21(6)29(39-33)16-31-25(12-2)23(8)35(43)41-31/h15-19,38-39H,11-14H2,1-10H3,(H,40,42)/b29-16+,30-15-,33-17-
InChIKeyDHJKLRZODQQLBQ-LHCGQGKJSA-N
XLogP4.18
TPSA142.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500642.80
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze methyl 3-[(2Z,5E)-2-[[5-[(Z)-(3-ethyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-3-(3-methoxy-2-methyl-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(3-ethyl-4-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]-2-methylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2Z,5E)-2-[[5-[(Z)-(3-ethyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-3-(3-methoxy-2-methyl-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(3-ethyl-4-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]-2-methylpropanoate?
The IUPAC name of methyl 3-[(2Z,5E)-2-[[5-[(Z)-(3-ethyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-3-(3-methoxy-2-methyl-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(3-ethyl-4-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]-2-methylpropanoate (CID 10349201) is methyl 3-[(2Z,5E)-2-[[5-[(Z)-(3-ethyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-3-(3-methoxy-2-methyl-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(3-ethyl-4-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[(2Z,5E)-2-[[5-[(Z)-(3-ethyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-3-(3-methoxy-2-methyl-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(3-ethyl-4-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]-2-methylpropanoate?
The canonical SMILES for methyl 3-[(2Z,5E)-2-[[5-[(Z)-(3-ethyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-3-(3-methoxy-2-methyl-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(3-ethyl-4-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]-2-methylpropanoate is CCC1=C(C)C(=O)N=C1/C=c1/[nH]/c(=C\c2[nH]c(/C=C3\NC(=O)C(C)=C3CC)c(C)c2CC(C)C(=O)OC)c(CC(C)C(=O)OC)c1C.
What is the InChIKey of methyl 3-[(2Z,5E)-2-[[5-[(Z)-(3-ethyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-3-(3-methoxy-2-methyl-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(3-ethyl-4-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]-2-methylpropanoate?
The InChIKey is DHJKLRZODQQLBQ-LHCGQGKJSA-N. The full InChI is InChI=1S/C37H46N4O6/c1-11-24-22(7)34(42)40-30(24)15-28-20(5)26(13-18(3)36(44)46-9)32(38-28)17-33-27(14-19(4)37(45)47-10)21(6)29(39-33)16-31-25(12-2)23(8)35(43)41-31/h15-19,38-39H,11-14H2,1-10H3,(H,40,42)/b29-16+,30-15-,33-17-.
What are the key properties of methyl 3-[(2Z,5E)-2-[[5-[(Z)-(3-ethyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-3-(3-methoxy-2-methyl-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(3-ethyl-4-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]-2-methylpropanoate?
methyl 3-[(2Z,5E)-2-[[5-[(Z)-(3-ethyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-3-(3-methoxy-2-methyl-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(3-ethyl-4-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]-2-methylpropanoate has a molecular weight of 642.80 g/mol, XLogP of 4.18, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2Z,5E)-2-[[5-[(Z)-(3-ethyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-3-(3-methoxy-2-methyl-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(3-ethyl-4-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]-2-methylpropanoate is sourced from PubChem (CID 10349201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).