1-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)-3-phenylurea

C24H18N6O — CID 6538887

IUPAC1-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1n[nH]c2nnc(-c3ccccc3)c(-c3ccccc3)c12
InChIInChI=1S/C24H18N6O/c31-24(25-18-14-8-3-9-15-18)26-22-20-19(16-10-4-1-5-11-16)21(17-12-6-2-7-13-17)27-29-23(20)30-28-22/h1-15H,(H3,25,26,28,29,30,31)
InChIKeyBUUXBIIFLQVFAR-UHFFFAOYSA-N
MW406.45 g/mol
LogP5.33
Rot. Bonds4

About 1-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)-3-phenylurea

1-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)-3-phenylurea (PubChem CID 6538887) has the molecular formula C24H18N6O and a molecular weight of 406.45 g/mol. Its IUPAC name is 1-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)-3-phenylurea
PubChem CID6538887
Molecular FormulaC24H18N6O
Molecular Weight406.45 g/mol
Exact Mass406.15
IUPAC Name1-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1n[nH]c2nnc(-c3ccccc3)c(-c3ccccc3)c12
InChIInChI=1S/C24H18N6O/c31-24(25-18-14-8-3-9-15-18)26-22-20-19(16-10-4-1-5-11-16)21(17-12-6-2-7-13-17)27-29-23(20)30-28-22/h1-15H,(H3,25,26,28,29,30,31)
InChIKeyBUUXBIIFLQVFAR-UHFFFAOYSA-N
XLogP5.33
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.45
LogP ≤ 55.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Linifanib
CID 11485656
N-[5-(2,3-difluorophenyl)-1H-pyrazolo[3,4-c]pyridazin-3-yl]cyclopentanecarboxamide
CID 6539562
N-{5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl}butanamide
CID 6539527
4-(dimethylamino)-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)butanamide
CID 6539554
N-{4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl}butanamide
CID 6539553
N-{5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl}-4-(pyrrolidin-1-yl)butanamide
CID 6539555
4-(4-ethylpiperazin-1-yl)-N-{5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl}butanamide
CID 6539556
1-methyl-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)piperidine-4-carboxamide
CID 6539558
5-(4-ethylpiperazin-1-yl)-N-{5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl}pentanamide
CID 6539559
N-[5-(2,3-difluorophenyl)-1H-pyrazolo[3,4-c]pyridazin-3-yl]-4-(dimethylamino)butanamide
CID 6539560
1-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)-3-ethylurea
CID 6538886
1-(4-(3-amino-1H-indazol-4-yl)phenyl)-3-(3-(trifluoromethyl)phenyl)urea
CID 11154134

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)-3-phenylurea?
The IUPAC name of 1-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)-3-phenylurea (CID 6538887) is 1-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)-3-phenylurea.
What is the SMILES notation for 1-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)-3-phenylurea?
The canonical SMILES for 1-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)-3-phenylurea is O=C(Nc1ccccc1)Nc1n[nH]c2nnc(-c3ccccc3)c(-c3ccccc3)c12.
What is the InChIKey of 1-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)-3-phenylurea?
The InChIKey is BUUXBIIFLQVFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N6O/c31-24(25-18-14-8-3-9-15-18)26-22-20-19(16-10-4-1-5-11-16)21(17-12-6-2-7-13-17)27-29-23(20)30-28-22/h1-15H,(H3,25,26,28,29,30,31).
What are the key properties of 1-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)-3-phenylurea?
1-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)-3-phenylurea has a molecular weight of 406.45 g/mol, XLogP of 5.33, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)-3-phenylurea is sourced from PubChem (CID 6538887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).