2-[[5-[[5-(2,3-dihydro-1H-pyrrol-2-ylmethylidene)pyrrol-2-yl]methylidene]pyrrol-2-yl]methylidene]pyrrole

C19H14N4 — CID 87541009

IUPAC2-[[5-[[5-(2,3-dihydro-1H-pyrrol-2-ylmethylidene)pyrrol-2-yl]methylidene]pyrrol-2-yl]methylidene]pyrrole
SMILESC1=C=NC(=CC2=NC(=CC3=NC(=CC4CC=CN4)C=C3)C=C2)C=1
InChIInChI=1S/C19H14N4/c1-3-14(20-9-1)11-16-5-7-18(22-16)13-19-8-6-17(23-19)12-15-4-2-10-21-15/h1,4-9,11-14,20H,3H2
InChIKeyJGHWRCKNYGVFNE-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.93
Rot. Bonds3

About 2-[[5-[[5-(2,3-dihydro-1H-pyrrol-2-ylmethylidene)pyrrol-2-yl]methylidene]pyrrol-2-yl]methylidene]pyrrole

2-[[5-[[5-(2,3-dihydro-1H-pyrrol-2-ylmethylidene)pyrrol-2-yl]methylidene]pyrrol-2-yl]methylidene]pyrrole (PubChem CID 87541009) has the molecular formula C19H14N4 and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-[[5-[[5-(2,3-dihydro-1H-pyrrol-2-ylmethylidene)pyrrol-2-yl]methylidene]pyrrol-2-yl]methylidene]pyrrole.

Molecular Properties

Compound Name2-[[5-[[5-(2,3-dihydro-1H-pyrrol-2-ylmethylidene)pyrrol-2-yl]methylidene]pyrrol-2-yl]methylidene]pyrrole
PubChem CID87541009
Molecular FormulaC19H14N4
Molecular Weight298.35 g/mol
Exact Mass298.12
IUPAC Name2-[[5-[[5-(2,3-dihydro-1H-pyrrol-2-ylmethylidene)pyrrol-2-yl]methylidene]pyrrol-2-yl]methylidene]pyrrole
SMILESC1=C=NC(=CC2=NC(=CC3=NC(=CC4CC=CN4)C=C3)C=C2)C=1
InChIInChI=1S/C19H14N4/c1-3-14(20-9-1)11-16-5-7-18(22-16)13-19-8-6-17(23-19)12-15-4-2-10-21-15/h1,4-9,11-14,20H,3H2
InChIKeyJGHWRCKNYGVFNE-UHFFFAOYSA-N
XLogP2.93
TPSA49.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[5-[[5-(2,3-dihydro-1H-pyrrol-2-ylmethylidene)pyrrol-2-yl]methylidene]pyrrol-2-yl]methylidene]pyrrole 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 2-[[5-[[5-(2,3-dihydro-1H-pyrrol-2-ylmethylidene)pyrrol-2-yl]methylidene]pyrrol-2-yl]methylidene]pyrrole?
The IUPAC name of 2-[[5-[[5-(2,3-dihydro-1H-pyrrol-2-ylmethylidene)pyrrol-2-yl]methylidene]pyrrol-2-yl]methylidene]pyrrole (CID 87541009) is 2-[[5-[[5-(2,3-dihydro-1H-pyrrol-2-ylmethylidene)pyrrol-2-yl]methylidene]pyrrol-2-yl]methylidene]pyrrole.
What is the SMILES notation for 2-[[5-[[5-(2,3-dihydro-1H-pyrrol-2-ylmethylidene)pyrrol-2-yl]methylidene]pyrrol-2-yl]methylidene]pyrrole?
The canonical SMILES for 2-[[5-[[5-(2,3-dihydro-1H-pyrrol-2-ylmethylidene)pyrrol-2-yl]methylidene]pyrrol-2-yl]methylidene]pyrrole is C1=C=NC(=CC2=NC(=CC3=NC(=CC4CC=CN4)C=C3)C=C2)C=1.
What is the InChIKey of 2-[[5-[[5-(2,3-dihydro-1H-pyrrol-2-ylmethylidene)pyrrol-2-yl]methylidene]pyrrol-2-yl]methylidene]pyrrole?
The InChIKey is JGHWRCKNYGVFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4/c1-3-14(20-9-1)11-16-5-7-18(22-16)13-19-8-6-17(23-19)12-15-4-2-10-21-15/h1,4-9,11-14,20H,3H2.
What are the key properties of 2-[[5-[[5-(2,3-dihydro-1H-pyrrol-2-ylmethylidene)pyrrol-2-yl]methylidene]pyrrol-2-yl]methylidene]pyrrole?
2-[[5-[[5-(2,3-dihydro-1H-pyrrol-2-ylmethylidene)pyrrol-2-yl]methylidene]pyrrol-2-yl]methylidene]pyrrole has a molecular weight of 298.35 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[[5-(2,3-dihydro-1H-pyrrol-2-ylmethylidene)pyrrol-2-yl]methylidene]pyrrol-2-yl]methylidene]pyrrole is sourced from PubChem (CID 87541009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).