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

C24H20FN5O3 — CID 30607565

IUPACN-(4-acetylphenyl)-2-[4-cyclopropyl-1-(4-fluorophenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetamide
SMILESCC(=O)c1ccc(NC(=O)Cn2nc(C3CC3)c3cnn(-c4ccc(F)cc4)c3c2=O)cc1
InChIInChI=1S/C24H20FN5O3/c1-14(31)15-4-8-18(9-5-15)27-21(32)13-29-24(33)23-20(22(28-29)16-2-3-16)12-26-30(23)19-10-6-17(25)7-11-19/h4-12,16H,2-3,13H2,1H3,(H,27,32)
InChIKeyYSBPQEWDEXGSOH-UHFFFAOYSA-N
MW445.45 g/mol
LogP3.44
Rot. Bonds6

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

N-(4-acetylphenyl)-2-[4-cyclopropyl-1-(4-fluorophenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetamide (PubChem CID 30607565) has the molecular formula C24H20FN5O3 and a molecular weight of 445.45 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[4-cyclopropyl-1-(4-fluorophenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[4-cyclopropyl-1-(4-fluorophenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetamide
PubChem CID30607565
Molecular FormulaC24H20FN5O3
Molecular Weight445.45 g/mol
Exact Mass445.16
IUPAC NameN-(4-acetylphenyl)-2-[4-cyclopropyl-1-(4-fluorophenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetamide
SMILESCC(=O)c1ccc(NC(=O)Cn2nc(C3CC3)c3cnn(-c4ccc(F)cc4)c3c2=O)cc1
InChIInChI=1S/C24H20FN5O3/c1-14(31)15-4-8-18(9-5-15)27-21(32)13-29-24(33)23-20(22(28-29)16-2-3-16)12-26-30(23)19-10-6-17(25)7-11-19/h4-12,16H,2-3,13H2,1H3,(H,27,32)
InChIKeyYSBPQEWDEXGSOH-UHFFFAOYSA-N
XLogP3.44
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[4-cyclopropyl-1-(4-fluorophenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-[4-cyclopropyl-1-(4-fluorophenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetamide (CID 30607565) is N-(4-acetylphenyl)-2-[4-cyclopropyl-1-(4-fluorophenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[4-cyclopropyl-1-(4-fluorophenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[4-cyclopropyl-1-(4-fluorophenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetamide is CC(=O)c1ccc(NC(=O)Cn2nc(C3CC3)c3cnn(-c4ccc(F)cc4)c3c2=O)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[4-cyclopropyl-1-(4-fluorophenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetamide?
The InChIKey is YSBPQEWDEXGSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O3/c1-14(31)15-4-8-18(9-5-15)27-21(32)13-29-24(33)23-20(22(28-29)16-2-3-16)12-26-30(23)19-10-6-17(25)7-11-19/h4-12,16H,2-3,13H2,1H3,(H,27,32).
What are the key properties of N-(4-acetylphenyl)-2-[4-cyclopropyl-1-(4-fluorophenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetamide?
N-(4-acetylphenyl)-2-[4-cyclopropyl-1-(4-fluorophenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetamide has a molecular weight of 445.45 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[4-cyclopropyl-1-(4-fluorophenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetamide is sourced from PubChem (CID 30607565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).