methyl 5-[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]-2,3-dihydro-1H-indol-3-yl]-5-oxopentanoate

C26H29N3O4 — CID 71068439

IUPACmethyl 5-[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]-2,3-dihydro-1H-indol-3-yl]-5-oxopentanoate
SMILESCOC(=O)CCCC(=O)C1c2ccccc2NC1C1=N/C(=C\c2[nH]c(C)cc2C)C(OC)=C1
InChIInChI=1S/C26H29N3O4/c1-15-12-16(2)27-19(15)13-20-23(32-3)14-21(28-20)26-25(17-8-5-6-9-18(17)29-26)22(30)10-7-11-24(31)33-4/h5-6,8-9,12-14,25-27,29H,7,10-11H2,1-4H3/b20-13-
InChIKeyBVVSQCJUMBNZOV-MOSHPQCFSA-N
MW447.54 g/mol
LogP4.45
Rot. Bonds8

About methyl 5-[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]-2,3-dihydro-1H-indol-3-yl]-5-oxopentanoate

methyl 5-[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]-2,3-dihydro-1H-indol-3-yl]-5-oxopentanoate (PubChem CID 71068439) has the molecular formula C26H29N3O4 and a molecular weight of 447.54 g/mol. Its IUPAC name is methyl 5-[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]-2,3-dihydro-1H-indol-3-yl]-5-oxopentanoate.

Molecular Properties

Compound Namemethyl 5-[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]-2,3-dihydro-1H-indol-3-yl]-5-oxopentanoate
PubChem CID71068439
Molecular FormulaC26H29N3O4
Molecular Weight447.54 g/mol
Exact Mass447.22
IUPAC Namemethyl 5-[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]-2,3-dihydro-1H-indol-3-yl]-5-oxopentanoate
SMILESCOC(=O)CCCC(=O)C1c2ccccc2NC1C1=N/C(=C\c2[nH]c(C)cc2C)C(OC)=C1
InChIInChI=1S/C26H29N3O4/c1-15-12-16(2)27-19(15)13-20-23(32-3)14-21(28-20)26-25(17-8-5-6-9-18(17)29-26)22(30)10-7-11-24(31)33-4/h5-6,8-9,12-14,25-27,29H,7,10-11H2,1-4H3/b20-13-
InChIKeyBVVSQCJUMBNZOV-MOSHPQCFSA-N
XLogP4.45
TPSA92.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 5-[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]-2,3-dihydro-1H-indol-3-yl]-5-oxopentanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]-2,3-dihydro-1H-indol-3-yl]-5-oxopentanoate?
The IUPAC name of methyl 5-[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]-2,3-dihydro-1H-indol-3-yl]-5-oxopentanoate (CID 71068439) is methyl 5-[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]-2,3-dihydro-1H-indol-3-yl]-5-oxopentanoate.
What is the SMILES notation for methyl 5-[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]-2,3-dihydro-1H-indol-3-yl]-5-oxopentanoate?
The canonical SMILES for methyl 5-[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]-2,3-dihydro-1H-indol-3-yl]-5-oxopentanoate is COC(=O)CCCC(=O)C1c2ccccc2NC1C1=N/C(=C\c2[nH]c(C)cc2C)C(OC)=C1.
What is the InChIKey of methyl 5-[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]-2,3-dihydro-1H-indol-3-yl]-5-oxopentanoate?
The InChIKey is BVVSQCJUMBNZOV-MOSHPQCFSA-N. The full InChI is InChI=1S/C26H29N3O4/c1-15-12-16(2)27-19(15)13-20-23(32-3)14-21(28-20)26-25(17-8-5-6-9-18(17)29-26)22(30)10-7-11-24(31)33-4/h5-6,8-9,12-14,25-27,29H,7,10-11H2,1-4H3/b20-13-.
What are the key properties of methyl 5-[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]-2,3-dihydro-1H-indol-3-yl]-5-oxopentanoate?
methyl 5-[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]-2,3-dihydro-1H-indol-3-yl]-5-oxopentanoate has a molecular weight of 447.54 g/mol, XLogP of 4.45, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]-2,3-dihydro-1H-indol-3-yl]-5-oxopentanoate is sourced from PubChem (CID 71068439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).