N-[2-fluoro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-pyrrolidin-1-ylpentanamide

C23H25FN4O2 — CID 23449484

IUPACN-[2-fluoro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-pyrrolidin-1-ylpentanamide
SMILESO=C(CCCCN1CCCC1)Nc1cc(-c2n[nH]c(=O)c3ccccc23)ccc1F
InChIInChI=1S/C23H25FN4O2/c24-19-11-10-16(22-17-7-1-2-8-18(17)23(30)27-26-22)15-20(19)25-21(29)9-3-4-12-28-13-5-6-14-28/h1-2,7-8,10-11,15H,3-6,9,12-14H2,(H,25,29)(H,27,30)
InChIKeyYSCMUKIOWOGBGL-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.93
Rot. Bonds7

About N-[2-fluoro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-pyrrolidin-1-ylpentanamide

N-[2-fluoro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-pyrrolidin-1-ylpentanamide (PubChem CID 23449484) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is N-[2-fluoro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-pyrrolidin-1-ylpentanamide.

Molecular Properties

Compound NameN-[2-fluoro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-pyrrolidin-1-ylpentanamide
PubChem CID23449484
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC NameN-[2-fluoro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-pyrrolidin-1-ylpentanamide
SMILESO=C(CCCCN1CCCC1)Nc1cc(-c2n[nH]c(=O)c3ccccc23)ccc1F
InChIInChI=1S/C23H25FN4O2/c24-19-11-10-16(22-17-7-1-2-8-18(17)23(30)27-26-22)15-20(19)25-21(29)9-3-4-12-28-13-5-6-14-28/h1-2,7-8,10-11,15H,3-6,9,12-14H2,(H,25,29)(H,27,30)
InChIKeyYSCMUKIOWOGBGL-UHFFFAOYSA-N
XLogP3.93
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-chloro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-morpholin-4-ylpentanamide;hydrochloride
CID 23449463
N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-thiomorpholin-4-ylpentanamide
CID 23449742
N-[2-chloro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-(fluoromethylamino)pentanamide;hydrochloride
CID 142651577
N-[2-chloro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-(cyclohexylamino)pentanamide
CID 23449476
N-[2-chloro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-(cyclopentylamino)pentanamide;hydrochloride
CID 23449737
5-[3-(methoxymethyl)piperidin-1-yl]-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide;hydrochloride
CID 23449738
N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]-6-pyrrolidin-1-ylhexanamide
CID 10150883
7-amino-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]heptanamide
CID 23449614
2-fluoro-5-(4-oxo-3H-phthalazin-1-yl)benzoic acid
CID 175396474
N-[2-(azepan-1-yl)-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-2,2,2-trifluoroacetamide
CID 11633363
N-[2-chloro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-(2-methylprop-2-enylamino)pentanamide
CID 23449488
4-(3,4-difluorophenyl)-2H-phthalazin-1-one
CID 28805276

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-pyrrolidin-1-ylpentanamide?
The IUPAC name of N-[2-fluoro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-pyrrolidin-1-ylpentanamide (CID 23449484) is N-[2-fluoro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-pyrrolidin-1-ylpentanamide.
What is the SMILES notation for N-[2-fluoro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-pyrrolidin-1-ylpentanamide?
The canonical SMILES for N-[2-fluoro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-pyrrolidin-1-ylpentanamide is O=C(CCCCN1CCCC1)Nc1cc(-c2n[nH]c(=O)c3ccccc23)ccc1F.
What is the InChIKey of N-[2-fluoro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-pyrrolidin-1-ylpentanamide?
The InChIKey is YSCMUKIOWOGBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c24-19-11-10-16(22-17-7-1-2-8-18(17)23(30)27-26-22)15-20(19)25-21(29)9-3-4-12-28-13-5-6-14-28/h1-2,7-8,10-11,15H,3-6,9,12-14H2,(H,25,29)(H,27,30).
What are the key properties of N-[2-fluoro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-pyrrolidin-1-ylpentanamide?
N-[2-fluoro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-pyrrolidin-1-ylpentanamide has a molecular weight of 408.48 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-pyrrolidin-1-ylpentanamide is sourced from PubChem (CID 23449484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).