2-[4-(3,3-difluorocyclopentyl)oxy-6-(1-fluorocyclopropyl)-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide

C22H19F4N5O3 — CID 169151528

IUPAC2-[4-(3,3-difluorocyclopentyl)oxy-6-(1-fluorocyclopropyl)-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide
SMILESO=C(Cn1nc(OC2CCC(F)(F)C2)c2cc(C3(F)CC3)ccc2c1=O)Nc1ncc(F)cn1
InChIInChI=1S/C22H19F4N5O3/c23-13-9-27-20(28-10-13)29-17(32)11-31-19(33)15-2-1-12(21(24)5-6-21)7-16(15)18(30-31)34-14-3-4-22(25,26)8-14/h1-2,7,9-10,14H,3-6,8,11H2,(H,27,28,29,32)
InChIKeyCESIQXNVJZHWSD-UHFFFAOYSA-N
MW477.42 g/mol
LogP3.49
Rot. Bonds6

About 2-[4-(3,3-difluorocyclopentyl)oxy-6-(1-fluorocyclopropyl)-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide

2-[4-(3,3-difluorocyclopentyl)oxy-6-(1-fluorocyclopropyl)-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide (PubChem CID 169151528) has the molecular formula C22H19F4N5O3 and a molecular weight of 477.42 g/mol. Its IUPAC name is 2-[4-(3,3-difluorocyclopentyl)oxy-6-(1-fluorocyclopropyl)-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(3,3-difluorocyclopentyl)oxy-6-(1-fluorocyclopropyl)-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide
PubChem CID169151528
Molecular FormulaC22H19F4N5O3
Molecular Weight477.42 g/mol
Exact Mass477.14
IUPAC Name2-[4-(3,3-difluorocyclopentyl)oxy-6-(1-fluorocyclopropyl)-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide
SMILESO=C(Cn1nc(OC2CCC(F)(F)C2)c2cc(C3(F)CC3)ccc2c1=O)Nc1ncc(F)cn1
InChIInChI=1S/C22H19F4N5O3/c23-13-9-27-20(28-10-13)29-17(32)11-31-19(33)15-2-1-12(21(24)5-6-21)7-16(15)18(30-31)34-14-3-4-22(25,26)8-14/h1-2,7,9-10,14H,3-6,8,11H2,(H,27,28,29,32)
InChIKeyCESIQXNVJZHWSD-UHFFFAOYSA-N
XLogP3.49
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.42
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-(3,3-difluorocyclopentyl)oxy-6-(1-fluorocyclopropyl)-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[6-bromo-4-[3-methoxy-3-(trifluoromethyl)cyclobutyl]oxy-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide
CID 169151511
2-(6-bromo-1-oxo-4-spiro[2.3]hexan-5-yloxyphthalazin-2-yl)-N-(5-cyanopyrimidin-2-yl)acetamide
CID 169151515
2-(2-cyclopropyl-5-oxo-8-propan-2-ylpyrido[2,3-d]pyridazin-6-yl)-N-(5-fluoropyrimidin-2-yl)acetamide
CID 172632646
2-[6-bromo-4-(fluoromethyl)-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide
CID 162731842
2-[6-bromo-4-[(1S,2S)-2-fluorocyclopropyl]-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide
CID 170368738
2-[2-cyclopropyl-8-(fluoromethyl)-5-oxopyrido[2,3-d]pyridazin-6-yl]-N-(5-fluoropyrimidin-2-yl)acetamide
CID 176648400
2-[4-(1-fluorocyclopropyl)-8-oxo-9-azatricyclo[8.1.1.02,7]dodeca-2(7),3,5-trien-9-yl]-N-(5-fluoropyrimidin-2-yl)acetamide;molecular hydrogen
CID 172622850
2-[1',1'-difluoro-6-(1-fluorocyclopropyl)-1-oxospiro[3H-isoquinoline-4,2'-cyclopropane]-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide
CID 169212134
2-[6-bromo-5-fluoro-4-(fluoromethyl)-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide
CID 162732024
ethyl 2-[4-bromo-6-(1-fluorocyclopropyl)-1-oxophthalazin-2-yl]acetate
CID 162364102
2-[6-bromo-4-[3-(2,2-difluoroethyl)cyclobutyl]oxy-1-oxophthalazin-2-yl]-N-([1,2,4]triazolo[1,5-a]pyridin-2-yl)acetamide
CID 169151587
2-[6-bromo-5-fluoro-1-oxo-4-(phosphanylmethyl)phthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide
CID 170369679

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,3-difluorocyclopentyl)oxy-6-(1-fluorocyclopropyl)-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide?
The IUPAC name of 2-[4-(3,3-difluorocyclopentyl)oxy-6-(1-fluorocyclopropyl)-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide (CID 169151528) is 2-[4-(3,3-difluorocyclopentyl)oxy-6-(1-fluorocyclopropyl)-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide.
What is the SMILES notation for 2-[4-(3,3-difluorocyclopentyl)oxy-6-(1-fluorocyclopropyl)-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide?
The canonical SMILES for 2-[4-(3,3-difluorocyclopentyl)oxy-6-(1-fluorocyclopropyl)-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide is O=C(Cn1nc(OC2CCC(F)(F)C2)c2cc(C3(F)CC3)ccc2c1=O)Nc1ncc(F)cn1.
What is the InChIKey of 2-[4-(3,3-difluorocyclopentyl)oxy-6-(1-fluorocyclopropyl)-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide?
The InChIKey is CESIQXNVJZHWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F4N5O3/c23-13-9-27-20(28-10-13)29-17(32)11-31-19(33)15-2-1-12(21(24)5-6-21)7-16(15)18(30-31)34-14-3-4-22(25,26)8-14/h1-2,7,9-10,14H,3-6,8,11H2,(H,27,28,29,32).
What are the key properties of 2-[4-(3,3-difluorocyclopentyl)oxy-6-(1-fluorocyclopropyl)-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide?
2-[4-(3,3-difluorocyclopentyl)oxy-6-(1-fluorocyclopropyl)-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide has a molecular weight of 477.42 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,3-difluorocyclopentyl)oxy-6-(1-fluorocyclopropyl)-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide is sourced from PubChem (CID 169151528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).