(5Z)-1-ethyl-4-methyl-5-[(4-methyl-1,5-diphenylpyrrolo[2,3-d]imidazol-2-yl)methylidene]-2,6-dioxopyridine-3-carbonitrile

C28H23N5O2 — CID 168735615

IUPAC(5Z)-1-ethyl-4-methyl-5-[(4-methyl-1,5-diphenylpyrrolo[2,3-d]imidazol-2-yl)methylidene]-2,6-dioxopyridine-3-carbonitrile
SMILESCCN1C(=O)C(C#N)=C(C)/C(=C/c2nc3c(cc(-c4ccccc4)n3C)n2-c2ccccc2)C1=O
InChIInChI=1S/C28H23N5O2/c1-4-32-27(34)21(18(2)22(17-29)28(32)35)15-25-30-26-24(33(25)20-13-9-6-10-14-20)16-23(31(26)3)19-11-7-5-8-12-19/h5-16H,4H2,1-3H3/b21-15-
InChIKeyRPPGRGIQAZOFIO-QNGOZBTKSA-N
MW461.53 g/mol
LogP4.64
Rot. Bonds4

About (5Z)-1-ethyl-4-methyl-5-[(4-methyl-1,5-diphenylpyrrolo[2,3-d]imidazol-2-yl)methylidene]-2,6-dioxopyridine-3-carbonitrile

(5Z)-1-ethyl-4-methyl-5-[(4-methyl-1,5-diphenylpyrrolo[2,3-d]imidazol-2-yl)methylidene]-2,6-dioxopyridine-3-carbonitrile (PubChem CID 168735615) has the molecular formula C28H23N5O2 and a molecular weight of 461.53 g/mol. Its IUPAC name is (5Z)-1-ethyl-4-methyl-5-[(4-methyl-1,5-diphenylpyrrolo[2,3-d]imidazol-2-yl)methylidene]-2,6-dioxopyridine-3-carbonitrile.

Molecular Properties

Compound Name(5Z)-1-ethyl-4-methyl-5-[(4-methyl-1,5-diphenylpyrrolo[2,3-d]imidazol-2-yl)methylidene]-2,6-dioxopyridine-3-carbonitrile
PubChem CID168735615
Molecular FormulaC28H23N5O2
Molecular Weight461.53 g/mol
Exact Mass461.19
IUPAC Name(5Z)-1-ethyl-4-methyl-5-[(4-methyl-1,5-diphenylpyrrolo[2,3-d]imidazol-2-yl)methylidene]-2,6-dioxopyridine-3-carbonitrile
SMILESCCN1C(=O)C(C#N)=C(C)/C(=C/c2nc3c(cc(-c4ccccc4)n3C)n2-c2ccccc2)C1=O
InChIInChI=1S/C28H23N5O2/c1-4-32-27(34)21(18(2)22(17-29)28(32)35)15-25-30-26-24(33(25)20-13-9-6-10-14-20)16-23(31(26)3)19-11-7-5-8-12-19/h5-16H,4H2,1-3H3/b21-15-
InChIKeyRPPGRGIQAZOFIO-QNGOZBTKSA-N
XLogP4.64
TPSA83.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.53
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (5Z)-1-ethyl-4-methyl-5-[(4-methyl-1,5-diphenylpyrrolo[2,3-d]imidazol-2-yl)methylidene]-2,6-dioxopyridine-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5Z)-1-ethyl-4-methyl-5-[(4-methyl-1,5-diphenylpyrrolo[2,3-d]imidazol-2-yl)methylidene]-2,6-dioxopyridine-3-carbonitrile?
The IUPAC name of (5Z)-1-ethyl-4-methyl-5-[(4-methyl-1,5-diphenylpyrrolo[2,3-d]imidazol-2-yl)methylidene]-2,6-dioxopyridine-3-carbonitrile (CID 168735615) is (5Z)-1-ethyl-4-methyl-5-[(4-methyl-1,5-diphenylpyrrolo[2,3-d]imidazol-2-yl)methylidene]-2,6-dioxopyridine-3-carbonitrile.
What is the SMILES notation for (5Z)-1-ethyl-4-methyl-5-[(4-methyl-1,5-diphenylpyrrolo[2,3-d]imidazol-2-yl)methylidene]-2,6-dioxopyridine-3-carbonitrile?
The canonical SMILES for (5Z)-1-ethyl-4-methyl-5-[(4-methyl-1,5-diphenylpyrrolo[2,3-d]imidazol-2-yl)methylidene]-2,6-dioxopyridine-3-carbonitrile is CCN1C(=O)C(C#N)=C(C)/C(=C/c2nc3c(cc(-c4ccccc4)n3C)n2-c2ccccc2)C1=O.
What is the InChIKey of (5Z)-1-ethyl-4-methyl-5-[(4-methyl-1,5-diphenylpyrrolo[2,3-d]imidazol-2-yl)methylidene]-2,6-dioxopyridine-3-carbonitrile?
The InChIKey is RPPGRGIQAZOFIO-QNGOZBTKSA-N. The full InChI is InChI=1S/C28H23N5O2/c1-4-32-27(34)21(18(2)22(17-29)28(32)35)15-25-30-26-24(33(25)20-13-9-6-10-14-20)16-23(31(26)3)19-11-7-5-8-12-19/h5-16H,4H2,1-3H3/b21-15-.
What are the key properties of (5Z)-1-ethyl-4-methyl-5-[(4-methyl-1,5-diphenylpyrrolo[2,3-d]imidazol-2-yl)methylidene]-2,6-dioxopyridine-3-carbonitrile?
(5Z)-1-ethyl-4-methyl-5-[(4-methyl-1,5-diphenylpyrrolo[2,3-d]imidazol-2-yl)methylidene]-2,6-dioxopyridine-3-carbonitrile has a molecular weight of 461.53 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-1-ethyl-4-methyl-5-[(4-methyl-1,5-diphenylpyrrolo[2,3-d]imidazol-2-yl)methylidene]-2,6-dioxopyridine-3-carbonitrile is sourced from PubChem (CID 168735615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).