4-(4,5-diphenyl-1H-pyrrol-3-yl)-2-(4-methylphenyl)-6H-pyrazolo[3,4-d]pyridazin-7-one

C28H21N5O — CID 137189951

IUPAC4-(4,5-diphenyl-1H-pyrrol-3-yl)-2-(4-methylphenyl)-6H-pyrazolo[3,4-d]pyridazin-7-one
SMILESCc1ccc(-n2cc3c(-c4c[nH]c(-c5ccccc5)c4-c4ccccc4)n[nH]c(=O)c3n2)cc1
InChIInChI=1S/C28H21N5O/c1-18-12-14-21(15-13-18)33-17-23-26(30-31-28(34)27(23)32-33)22-16-29-25(20-10-6-3-7-11-20)24(22)19-8-4-2-5-9-19/h2-17,29H,1H3,(H,31,34)
InChIKeyULRHQDXXTVKDTL-UHFFFAOYSA-N
MW443.51 g/mol
LogP5.75
Rot. Bonds4

About 4-(4,5-diphenyl-1H-pyrrol-3-yl)-2-(4-methylphenyl)-6H-pyrazolo[3,4-d]pyridazin-7-one

4-(4,5-diphenyl-1H-pyrrol-3-yl)-2-(4-methylphenyl)-6H-pyrazolo[3,4-d]pyridazin-7-one (PubChem CID 137189951) has the molecular formula C28H21N5O and a molecular weight of 443.51 g/mol. Its IUPAC name is 4-(4,5-diphenyl-1H-pyrrol-3-yl)-2-(4-methylphenyl)-6H-pyrazolo[3,4-d]pyridazin-7-one.

Molecular Properties

Compound Name4-(4,5-diphenyl-1H-pyrrol-3-yl)-2-(4-methylphenyl)-6H-pyrazolo[3,4-d]pyridazin-7-one
PubChem CID137189951
Molecular FormulaC28H21N5O
Molecular Weight443.51 g/mol
Exact Mass443.17
IUPAC Name4-(4,5-diphenyl-1H-pyrrol-3-yl)-2-(4-methylphenyl)-6H-pyrazolo[3,4-d]pyridazin-7-one
SMILESCc1ccc(-n2cc3c(-c4c[nH]c(-c5ccccc5)c4-c4ccccc4)n[nH]c(=O)c3n2)cc1
InChIInChI=1S/C28H21N5O/c1-18-12-14-21(15-13-18)33-17-23-26(30-31-28(34)27(23)32-33)22-16-29-25(20-10-6-3-7-11-20)24(22)19-8-4-2-5-9-19/h2-17,29H,1H3,(H,31,34)
InChIKeyULRHQDXXTVKDTL-UHFFFAOYSA-N
XLogP5.75
TPSA79.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.51
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(4,5-diphenyl-1H-pyrrol-3-yl)-2-(4-methylphenyl)-6H-pyrazolo[3,4-d]pyridazin-7-one 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 4-(4,5-diphenyl-1H-pyrrol-3-yl)-2-(4-methylphenyl)-6H-pyrazolo[3,4-d]pyridazin-7-one?
The IUPAC name of 4-(4,5-diphenyl-1H-pyrrol-3-yl)-2-(4-methylphenyl)-6H-pyrazolo[3,4-d]pyridazin-7-one (CID 137189951) is 4-(4,5-diphenyl-1H-pyrrol-3-yl)-2-(4-methylphenyl)-6H-pyrazolo[3,4-d]pyridazin-7-one.
What is the SMILES notation for 4-(4,5-diphenyl-1H-pyrrol-3-yl)-2-(4-methylphenyl)-6H-pyrazolo[3,4-d]pyridazin-7-one?
The canonical SMILES for 4-(4,5-diphenyl-1H-pyrrol-3-yl)-2-(4-methylphenyl)-6H-pyrazolo[3,4-d]pyridazin-7-one is Cc1ccc(-n2cc3c(-c4c[nH]c(-c5ccccc5)c4-c4ccccc4)n[nH]c(=O)c3n2)cc1.
What is the InChIKey of 4-(4,5-diphenyl-1H-pyrrol-3-yl)-2-(4-methylphenyl)-6H-pyrazolo[3,4-d]pyridazin-7-one?
The InChIKey is ULRHQDXXTVKDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N5O/c1-18-12-14-21(15-13-18)33-17-23-26(30-31-28(34)27(23)32-33)22-16-29-25(20-10-6-3-7-11-20)24(22)19-8-4-2-5-9-19/h2-17,29H,1H3,(H,31,34).
What are the key properties of 4-(4,5-diphenyl-1H-pyrrol-3-yl)-2-(4-methylphenyl)-6H-pyrazolo[3,4-d]pyridazin-7-one?
4-(4,5-diphenyl-1H-pyrrol-3-yl)-2-(4-methylphenyl)-6H-pyrazolo[3,4-d]pyridazin-7-one has a molecular weight of 443.51 g/mol, XLogP of 5.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-diphenyl-1H-pyrrol-3-yl)-2-(4-methylphenyl)-6H-pyrazolo[3,4-d]pyridazin-7-one is sourced from PubChem (CID 137189951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).