2-[2-(3-fluorophenyl)-7-methyl-4-oxo-3-pyrrol-1-ylpyrazolo[3,4-d]pyridazin-5-yl]-N-[2-(furan-2-yl)ethyl]acetamide

C24H21FN6O3 — CID 46350329

IUPAC2-[2-(3-fluorophenyl)-7-methyl-4-oxo-3-pyrrol-1-ylpyrazolo[3,4-d]pyridazin-5-yl]-N-[2-(furan-2-yl)ethyl]acetamide
SMILESCc1nn(CC(=O)NCCc2ccco2)c(=O)c2c(-n3cccc3)n(-c3cccc(F)c3)nc12
InChIInChI=1S/C24H21FN6O3/c1-16-22-21(24(33)30(27-16)15-20(32)26-10-9-19-8-5-13-34-19)23(29-11-2-3-12-29)31(28-22)18-7-4-6-17(25)14-18/h2-8,11-14H,9-10,15H2,1H3,(H,26,32)
InChIKeyQOEYHSNWKXSNHE-UHFFFAOYSA-N
MW460.47 g/mol
LogP2.77
Rot. Bonds7

About 2-[2-(3-fluorophenyl)-7-methyl-4-oxo-3-pyrrol-1-ylpyrazolo[3,4-d]pyridazin-5-yl]-N-[2-(furan-2-yl)ethyl]acetamide

2-[2-(3-fluorophenyl)-7-methyl-4-oxo-3-pyrrol-1-ylpyrazolo[3,4-d]pyridazin-5-yl]-N-[2-(furan-2-yl)ethyl]acetamide (PubChem CID 46350329) has the molecular formula C24H21FN6O3 and a molecular weight of 460.47 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)-7-methyl-4-oxo-3-pyrrol-1-ylpyrazolo[3,4-d]pyridazin-5-yl]-N-[2-(furan-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)-7-methyl-4-oxo-3-pyrrol-1-ylpyrazolo[3,4-d]pyridazin-5-yl]-N-[2-(furan-2-yl)ethyl]acetamide
PubChem CID46350329
Molecular FormulaC24H21FN6O3
Molecular Weight460.47 g/mol
Exact Mass460.17
IUPAC Name2-[2-(3-fluorophenyl)-7-methyl-4-oxo-3-pyrrol-1-ylpyrazolo[3,4-d]pyridazin-5-yl]-N-[2-(furan-2-yl)ethyl]acetamide
SMILESCc1nn(CC(=O)NCCc2ccco2)c(=O)c2c(-n3cccc3)n(-c3cccc(F)c3)nc12
InChIInChI=1S/C24H21FN6O3/c1-16-22-21(24(33)30(27-16)15-20(32)26-10-9-19-8-5-13-34-19)23(29-11-2-3-12-29)31(28-22)18-7-4-6-17(25)14-18/h2-8,11-14H,9-10,15H2,1H3,(H,26,32)
InChIKeyQOEYHSNWKXSNHE-UHFFFAOYSA-N
XLogP2.77
TPSA99.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.47
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)-7-methyl-4-oxo-3-pyrrol-1-ylpyrazolo[3,4-d]pyridazin-5-yl]-N-[2-(furan-2-yl)ethyl]acetamide?
The IUPAC name of 2-[2-(3-fluorophenyl)-7-methyl-4-oxo-3-pyrrol-1-ylpyrazolo[3,4-d]pyridazin-5-yl]-N-[2-(furan-2-yl)ethyl]acetamide (CID 46350329) is 2-[2-(3-fluorophenyl)-7-methyl-4-oxo-3-pyrrol-1-ylpyrazolo[3,4-d]pyridazin-5-yl]-N-[2-(furan-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-[2-(3-fluorophenyl)-7-methyl-4-oxo-3-pyrrol-1-ylpyrazolo[3,4-d]pyridazin-5-yl]-N-[2-(furan-2-yl)ethyl]acetamide?
The canonical SMILES for 2-[2-(3-fluorophenyl)-7-methyl-4-oxo-3-pyrrol-1-ylpyrazolo[3,4-d]pyridazin-5-yl]-N-[2-(furan-2-yl)ethyl]acetamide is Cc1nn(CC(=O)NCCc2ccco2)c(=O)c2c(-n3cccc3)n(-c3cccc(F)c3)nc12.
What is the InChIKey of 2-[2-(3-fluorophenyl)-7-methyl-4-oxo-3-pyrrol-1-ylpyrazolo[3,4-d]pyridazin-5-yl]-N-[2-(furan-2-yl)ethyl]acetamide?
The InChIKey is QOEYHSNWKXSNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6O3/c1-16-22-21(24(33)30(27-16)15-20(32)26-10-9-19-8-5-13-34-19)23(29-11-2-3-12-29)31(28-22)18-7-4-6-17(25)14-18/h2-8,11-14H,9-10,15H2,1H3,(H,26,32).
What are the key properties of 2-[2-(3-fluorophenyl)-7-methyl-4-oxo-3-pyrrol-1-ylpyrazolo[3,4-d]pyridazin-5-yl]-N-[2-(furan-2-yl)ethyl]acetamide?
2-[2-(3-fluorophenyl)-7-methyl-4-oxo-3-pyrrol-1-ylpyrazolo[3,4-d]pyridazin-5-yl]-N-[2-(furan-2-yl)ethyl]acetamide has a molecular weight of 460.47 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)-7-methyl-4-oxo-3-pyrrol-1-ylpyrazolo[3,4-d]pyridazin-5-yl]-N-[2-(furan-2-yl)ethyl]acetamide is sourced from PubChem (CID 46350329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).