N-(2-fluorophenyl)-2-[1-(4-fluorophenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetamide

C20H15F2N5O2 — CID 16846397

IUPACN-(2-fluorophenyl)-2-[1-(4-fluorophenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetamide
SMILESCc1nn(CC(=O)Nc2ccccc2F)c(=O)c2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C20H15F2N5O2/c1-12-15-10-23-27(14-8-6-13(21)7-9-14)19(15)20(29)26(25-12)11-18(28)24-17-5-3-2-4-16(17)22/h2-10H,11H2,1H3,(H,24,28)
InChIKeyVLJBEDGKDLNKEW-UHFFFAOYSA-N
MW395.37 g/mol
LogP2.81
Rot. Bonds4

About N-(2-fluorophenyl)-2-[1-(4-fluorophenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetamide

N-(2-fluorophenyl)-2-[1-(4-fluorophenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetamide (PubChem CID 16846397) has the molecular formula C20H15F2N5O2 and a molecular weight of 395.37 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[1-(4-fluorophenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[1-(4-fluorophenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetamide
PubChem CID16846397
Molecular FormulaC20H15F2N5O2
Molecular Weight395.37 g/mol
Exact Mass395.12
IUPAC NameN-(2-fluorophenyl)-2-[1-(4-fluorophenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetamide
SMILESCc1nn(CC(=O)Nc2ccccc2F)c(=O)c2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C20H15F2N5O2/c1-12-15-10-23-27(14-8-6-13(21)7-9-14)19(15)20(29)26(25-12)11-18(28)24-17-5-3-2-4-16(17)22/h2-10H,11H2,1H3,(H,24,28)
InChIKeyVLJBEDGKDLNKEW-UHFFFAOYSA-N
XLogP2.81
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[1-(4-fluorophenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[1-(4-fluorophenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetamide (CID 16846397) is N-(2-fluorophenyl)-2-[1-(4-fluorophenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[1-(4-fluorophenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[1-(4-fluorophenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetamide is Cc1nn(CC(=O)Nc2ccccc2F)c(=O)c2c1cnn2-c1ccc(F)cc1.
What is the InChIKey of N-(2-fluorophenyl)-2-[1-(4-fluorophenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetamide?
The InChIKey is VLJBEDGKDLNKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N5O2/c1-12-15-10-23-27(14-8-6-13(21)7-9-14)19(15)20(29)26(25-12)11-18(28)24-17-5-3-2-4-16(17)22/h2-10H,11H2,1H3,(H,24,28).
What are the key properties of N-(2-fluorophenyl)-2-[1-(4-fluorophenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetamide?
N-(2-fluorophenyl)-2-[1-(4-fluorophenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetamide has a molecular weight of 395.37 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[1-(4-fluorophenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetamide is sourced from PubChem (CID 16846397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).