N-(4-ethylphenyl)-2-[7-(4-fluorophenyl)-4-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide

C25H24FN5O2S — CID 30836525

IUPACN-(4-ethylphenyl)-2-[7-(4-fluorophenyl)-4-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
SMILESCCc1ccc(NC(=O)Cn2nc(-c3ccc(F)cc3)c3sc(N4CCCC4)nc3c2=O)cc1
InChIInChI=1S/C25H24FN5O2S/c1-2-16-5-11-19(12-6-16)27-20(32)15-31-24(33)22-23(34-25(28-22)30-13-3-4-14-30)21(29-31)17-7-9-18(26)10-8-17/h5-12H,2-4,13-15H2,1H3,(H,27,32)
InChIKeyVHTPUWYZFUKNNR-UHFFFAOYSA-N
MW477.57 g/mol
LogP4.46
Rot. Bonds6

About N-(4-ethylphenyl)-2-[7-(4-fluorophenyl)-4-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide

N-(4-ethylphenyl)-2-[7-(4-fluorophenyl)-4-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide (PubChem CID 30836525) has the molecular formula C25H24FN5O2S and a molecular weight of 477.57 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-[7-(4-fluorophenyl)-4-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-[7-(4-fluorophenyl)-4-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
PubChem CID30836525
Molecular FormulaC25H24FN5O2S
Molecular Weight477.57 g/mol
Exact Mass477.16
IUPAC NameN-(4-ethylphenyl)-2-[7-(4-fluorophenyl)-4-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
SMILESCCc1ccc(NC(=O)Cn2nc(-c3ccc(F)cc3)c3sc(N4CCCC4)nc3c2=O)cc1
InChIInChI=1S/C25H24FN5O2S/c1-2-16-5-11-19(12-6-16)27-20(32)15-31-24(33)22-23(34-25(28-22)30-13-3-4-14-30)21(29-31)17-7-9-18(26)10-8-17/h5-12H,2-4,13-15H2,1H3,(H,27,32)
InChIKeyVHTPUWYZFUKNNR-UHFFFAOYSA-N
XLogP4.46
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-[7-(4-fluorophenyl)-4-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide?
The IUPAC name of N-(4-ethylphenyl)-2-[7-(4-fluorophenyl)-4-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide (CID 30836525) is N-(4-ethylphenyl)-2-[7-(4-fluorophenyl)-4-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-[7-(4-fluorophenyl)-4-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-[7-(4-fluorophenyl)-4-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide is CCc1ccc(NC(=O)Cn2nc(-c3ccc(F)cc3)c3sc(N4CCCC4)nc3c2=O)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-[7-(4-fluorophenyl)-4-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide?
The InChIKey is VHTPUWYZFUKNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O2S/c1-2-16-5-11-19(12-6-16)27-20(32)15-31-24(33)22-23(34-25(28-22)30-13-3-4-14-30)21(29-31)17-7-9-18(26)10-8-17/h5-12H,2-4,13-15H2,1H3,(H,27,32).
What are the key properties of N-(4-ethylphenyl)-2-[7-(4-fluorophenyl)-4-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide?
N-(4-ethylphenyl)-2-[7-(4-fluorophenyl)-4-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide has a molecular weight of 477.57 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-[7-(4-fluorophenyl)-4-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide is sourced from PubChem (CID 30836525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).