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

C21H19N5O — CID 6539553

IUPACN-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)butanamide
SMILESCCCC(=O)Nc1n[nH]c2nnc(-c3ccccc3)c(-c3ccccc3)c12
InChIInChI=1S/C21H19N5O/c1-2-9-16(27)22-20-18-17(14-10-5-3-6-11-14)19(15-12-7-4-8-13-15)23-25-21(18)26-24-20/h3-8,10-13H,2,9H2,1H3,(H2,22,24,25,26,27)
InChIKeyAWINCECFBWDQTG-UHFFFAOYSA-N
MW357.42 g/mol
LogP4.43
Rot. Bonds5

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

N-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)butanamide (PubChem CID 6539553) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is N-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)butanamide.

Molecular Properties

Compound NameN-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)butanamide
PubChem CID6539553
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC NameN-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)butanamide
SMILESCCCC(=O)Nc1n[nH]c2nnc(-c3ccccc3)c(-c3ccccc3)c12
InChIInChI=1S/C21H19N5O/c1-2-9-16(27)22-20-18-17(14-10-5-3-6-11-14)19(15-12-7-4-8-13-15)23-25-21(18)26-24-20/h3-8,10-13H,2,9H2,1H3,(H2,22,24,25,26,27)
InChIKeyAWINCECFBWDQTG-UHFFFAOYSA-N
XLogP4.43
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 54.43
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)butanamide?
The IUPAC name of N-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)butanamide (CID 6539553) is N-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)butanamide.
What is the SMILES notation for N-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)butanamide?
The canonical SMILES for N-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)butanamide is CCCC(=O)Nc1n[nH]c2nnc(-c3ccccc3)c(-c3ccccc3)c12.
What is the InChIKey of N-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)butanamide?
The InChIKey is AWINCECFBWDQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-2-9-16(27)22-20-18-17(14-10-5-3-6-11-14)19(15-12-7-4-8-13-15)23-25-21(18)26-24-20/h3-8,10-13H,2,9H2,1H3,(H2,22,24,25,26,27).
What are the key properties of N-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)butanamide?
N-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)butanamide has a molecular weight of 357.42 g/mol, XLogP of 4.43, 5 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)butanamide is sourced from PubChem (CID 6539553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).