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

C24H17N5O — CID 10135042

IUPACN-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)benzamide
SMILESO=C(Nc1n[nH]c2nnc(-c3ccccc3)c(-c3ccccc3)c12)c1ccccc1
InChIInChI=1S/C24H17N5O/c30-24(18-14-8-3-9-15-18)25-22-20-19(16-10-4-1-5-11-16)21(17-12-6-2-7-13-17)26-28-23(20)29-27-22/h1-15H,(H2,25,27,28,29,30)
InChIKeyCBJZXSKIVHGDPX-UHFFFAOYSA-N
MW391.43 g/mol
LogP4.94
Rot. Bonds4

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

N-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)benzamide (PubChem CID 10135042) has the molecular formula C24H17N5O and a molecular weight of 391.43 g/mol. Its IUPAC name is N-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)benzamide.

Molecular Properties

Compound NameN-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)benzamide
PubChem CID10135042
Molecular FormulaC24H17N5O
Molecular Weight391.43 g/mol
Exact Mass391.14
IUPAC NameN-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)benzamide
SMILESO=C(Nc1n[nH]c2nnc(-c3ccccc3)c(-c3ccccc3)c12)c1ccccc1
InChIInChI=1S/C24H17N5O/c30-24(18-14-8-3-9-15-18)25-22-20-19(16-10-4-1-5-11-16)21(17-12-6-2-7-13-17)26-28-23(20)29-27-22/h1-15H,(H2,25,27,28,29,30)
InChIKeyCBJZXSKIVHGDPX-UHFFFAOYSA-N
XLogP4.94
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)benzamide?
The IUPAC name of N-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)benzamide (CID 10135042) is N-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)benzamide.
What is the SMILES notation for N-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)benzamide?
The canonical SMILES for N-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)benzamide is O=C(Nc1n[nH]c2nnc(-c3ccccc3)c(-c3ccccc3)c12)c1ccccc1.
What is the InChIKey of N-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)benzamide?
The InChIKey is CBJZXSKIVHGDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N5O/c30-24(18-14-8-3-9-15-18)25-22-20-19(16-10-4-1-5-11-16)21(17-12-6-2-7-13-17)26-28-23(20)29-27-22/h1-15H,(H2,25,27,28,29,30).
What are the key properties of N-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)benzamide?
N-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)benzamide has a molecular weight of 391.43 g/mol, XLogP of 4.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)benzamide is sourced from PubChem (CID 10135042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).