N-(5-benzamido-3-methyl-2H-pyrazolo[3,4-c]pyridazin-4-yl)benzamide

C20H16N6O2 — CID 91869386

IUPACN-(5-benzamido-3-methyl-2H-pyrazolo[3,4-c]pyridazin-4-yl)benzamide
SMILESCc1[nH]nc2nnc(NC(=O)c3ccccc3)c(NC(=O)c3ccccc3)c12
InChIInChI=1S/C20H16N6O2/c1-12-15-16(21-19(27)13-8-4-2-5-9-13)18(26-25-17(15)24-23-12)22-20(28)14-10-6-3-7-11-14/h2-11H,1H3,(H,22,26,28)(H2,21,23,24,25,27)
InChIKeyFVMUZQZVOHQMOD-UHFFFAOYSA-N
MW372.39 g/mol
LogP3.17
Rot. Bonds4

About N-(5-benzamido-3-methyl-2H-pyrazolo[3,4-c]pyridazin-4-yl)benzamide

N-(5-benzamido-3-methyl-2H-pyrazolo[3,4-c]pyridazin-4-yl)benzamide (PubChem CID 91869386) has the molecular formula C20H16N6O2 and a molecular weight of 372.39 g/mol. Its IUPAC name is N-(5-benzamido-3-methyl-2H-pyrazolo[3,4-c]pyridazin-4-yl)benzamide.

Molecular Properties

Compound NameN-(5-benzamido-3-methyl-2H-pyrazolo[3,4-c]pyridazin-4-yl)benzamide
PubChem CID91869386
Molecular FormulaC20H16N6O2
Molecular Weight372.39 g/mol
Exact Mass372.13
IUPAC NameN-(5-benzamido-3-methyl-2H-pyrazolo[3,4-c]pyridazin-4-yl)benzamide
SMILESCc1[nH]nc2nnc(NC(=O)c3ccccc3)c(NC(=O)c3ccccc3)c12
InChIInChI=1S/C20H16N6O2/c1-12-15-16(21-19(27)13-8-4-2-5-9-13)18(26-25-17(15)24-23-12)22-20(28)14-10-6-3-7-11-14/h2-11H,1H3,(H,22,26,28)(H2,21,23,24,25,27)
InChIKeyFVMUZQZVOHQMOD-UHFFFAOYSA-N
XLogP3.17
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-benzamido-3-methyl-2H-pyrazolo[3,4-c]pyridazin-4-yl)benzamide?
The IUPAC name of N-(5-benzamido-3-methyl-2H-pyrazolo[3,4-c]pyridazin-4-yl)benzamide (CID 91869386) is N-(5-benzamido-3-methyl-2H-pyrazolo[3,4-c]pyridazin-4-yl)benzamide.
What is the SMILES notation for N-(5-benzamido-3-methyl-2H-pyrazolo[3,4-c]pyridazin-4-yl)benzamide?
The canonical SMILES for N-(5-benzamido-3-methyl-2H-pyrazolo[3,4-c]pyridazin-4-yl)benzamide is Cc1[nH]nc2nnc(NC(=O)c3ccccc3)c(NC(=O)c3ccccc3)c12.
What is the InChIKey of N-(5-benzamido-3-methyl-2H-pyrazolo[3,4-c]pyridazin-4-yl)benzamide?
The InChIKey is FVMUZQZVOHQMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O2/c1-12-15-16(21-19(27)13-8-4-2-5-9-13)18(26-25-17(15)24-23-12)22-20(28)14-10-6-3-7-11-14/h2-11H,1H3,(H,22,26,28)(H2,21,23,24,25,27).
What are the key properties of N-(5-benzamido-3-methyl-2H-pyrazolo[3,4-c]pyridazin-4-yl)benzamide?
N-(5-benzamido-3-methyl-2H-pyrazolo[3,4-c]pyridazin-4-yl)benzamide has a molecular weight of 372.39 g/mol, XLogP of 3.17, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzamido-3-methyl-2H-pyrazolo[3,4-c]pyridazin-4-yl)benzamide is sourced from PubChem (CID 91869386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).