2-(4-chlorophenyl)-7-naphthalen-2-yl-4-thiophen-2-ylpyrazolo[3,4-d]pyridazine

C25H15ClN4S — CID 171984569

IUPAC2-(4-chlorophenyl)-7-naphthalen-2-yl-4-thiophen-2-ylpyrazolo[3,4-d]pyridazine
SMILESClc1ccc(-n2cc3c(-c4cccs4)nnc(-c4ccc5ccccc5c4)c3n2)cc1
InChIInChI=1S/C25H15ClN4S/c26-19-9-11-20(12-10-19)30-15-21-24(22-6-3-13-31-22)28-27-23(25(21)29-30)18-8-7-16-4-1-2-5-17(16)14-18/h1-15H
InChIKeyHDGDFDGSKQGCEJ-UHFFFAOYSA-N
MW438.94 g/mol
LogP7.02
Rot. Bonds3

About 2-(4-chlorophenyl)-7-naphthalen-2-yl-4-thiophen-2-ylpyrazolo[3,4-d]pyridazine

2-(4-chlorophenyl)-7-naphthalen-2-yl-4-thiophen-2-ylpyrazolo[3,4-d]pyridazine (PubChem CID 171984569) has the molecular formula C25H15ClN4S and a molecular weight of 438.94 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-7-naphthalen-2-yl-4-thiophen-2-ylpyrazolo[3,4-d]pyridazine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-7-naphthalen-2-yl-4-thiophen-2-ylpyrazolo[3,4-d]pyridazine
PubChem CID171984569
Molecular FormulaC25H15ClN4S
Molecular Weight438.94 g/mol
Exact Mass438.07
IUPAC Name2-(4-chlorophenyl)-7-naphthalen-2-yl-4-thiophen-2-ylpyrazolo[3,4-d]pyridazine
SMILESClc1ccc(-n2cc3c(-c4cccs4)nnc(-c4ccc5ccccc5c4)c3n2)cc1
InChIInChI=1S/C25H15ClN4S/c26-19-9-11-20(12-10-19)30-15-21-24(22-6-3-13-31-22)28-27-23(25(21)29-30)18-8-7-16-4-1-2-5-17(16)14-18/h1-15H
InChIKeyHDGDFDGSKQGCEJ-UHFFFAOYSA-N
XLogP7.02
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.94
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid
CID 43324242
2-(7-thiophen-2-ylnaphthalen-2-yl)thiophene
CID 824515
2-[[4-(4-chlorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-ylethanone
CID 2042680
5-(4-chlorophenyl)-1-methyl-3-thiophen-2-ylpyrazole
CID 57160963
2-[2-[4-(4-chlorophenyl)phenyl]phenyl]naphthalene
CID 178067173
2-(9,10-dinaphthalen-2-yl-6-thiophen-2-ylanthracen-2-yl)thiophene
CID 59342673
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-yl-1,3-thiazole
CID 11726073
3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)-2-thiophen-2-ylprop-2-enenitrile
CID 4601254
4-(4-chlorophenyl)-2-(4-thiophen-2-yltriazol-1-yl)-1,3-thiazole
CID 52912871
2-(4-chlorophenyl)-4-(4-methylphenyl)-6-thiophen-2-ylpyridine
CID 102488794
2-[2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)ethenyl]quinoline
CID 5217661
3-naphthalen-2-yl-5-thiophen-2-yl-1H-pyrazole
CID 122400627

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-7-naphthalen-2-yl-4-thiophen-2-ylpyrazolo[3,4-d]pyridazine?
The IUPAC name of 2-(4-chlorophenyl)-7-naphthalen-2-yl-4-thiophen-2-ylpyrazolo[3,4-d]pyridazine (CID 171984569) is 2-(4-chlorophenyl)-7-naphthalen-2-yl-4-thiophen-2-ylpyrazolo[3,4-d]pyridazine.
What is the SMILES notation for 2-(4-chlorophenyl)-7-naphthalen-2-yl-4-thiophen-2-ylpyrazolo[3,4-d]pyridazine?
The canonical SMILES for 2-(4-chlorophenyl)-7-naphthalen-2-yl-4-thiophen-2-ylpyrazolo[3,4-d]pyridazine is Clc1ccc(-n2cc3c(-c4cccs4)nnc(-c4ccc5ccccc5c4)c3n2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-7-naphthalen-2-yl-4-thiophen-2-ylpyrazolo[3,4-d]pyridazine?
The InChIKey is HDGDFDGSKQGCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15ClN4S/c26-19-9-11-20(12-10-19)30-15-21-24(22-6-3-13-31-22)28-27-23(25(21)29-30)18-8-7-16-4-1-2-5-17(16)14-18/h1-15H.
What are the key properties of 2-(4-chlorophenyl)-7-naphthalen-2-yl-4-thiophen-2-ylpyrazolo[3,4-d]pyridazine?
2-(4-chlorophenyl)-7-naphthalen-2-yl-4-thiophen-2-ylpyrazolo[3,4-d]pyridazine has a molecular weight of 438.94 g/mol, XLogP of 7.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-7-naphthalen-2-yl-4-thiophen-2-ylpyrazolo[3,4-d]pyridazine is sourced from PubChem (CID 171984569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).