4-[[2-(3-hydroxy-3-methyl-2-oxoindol-1-yl)-4-pyridinyl]methyl]-2H-phthalazin-1-one

C23H18N4O3 — CID 166492273

IUPAC4-[[2-(3-hydroxy-3-methyl-2-oxoindol-1-yl)-4-pyridinyl]methyl]-2H-phthalazin-1-one
SMILESCC1(O)C(=O)N(c2cc(Cc3n[nH]c(=O)c4ccccc34)ccn2)c2ccccc21
InChIInChI=1S/C23H18N4O3/c1-23(30)17-8-4-5-9-19(17)27(22(23)29)20-13-14(10-11-24-20)12-18-15-6-2-3-7-16(15)21(28)26-25-18/h2-11,13,30H,12H2,1H3,(H,26,28)
InChIKeyLNJKLGOXKMEXLD-UHFFFAOYSA-N
MW398.42 g/mol
LogP2.79
Rot. Bonds3

About 4-[[2-(3-hydroxy-3-methyl-2-oxoindol-1-yl)-4-pyridinyl]methyl]-2H-phthalazin-1-one

4-[[2-(3-hydroxy-3-methyl-2-oxoindol-1-yl)-4-pyridinyl]methyl]-2H-phthalazin-1-one (PubChem CID 166492273) has the molecular formula C23H18N4O3 and a molecular weight of 398.42 g/mol. Its IUPAC name is 4-[[2-(3-hydroxy-3-methyl-2-oxoindol-1-yl)-4-pyridinyl]methyl]-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-[[2-(3-hydroxy-3-methyl-2-oxoindol-1-yl)-4-pyridinyl]methyl]-2H-phthalazin-1-one
PubChem CID166492273
Molecular FormulaC23H18N4O3
Molecular Weight398.42 g/mol
Exact Mass398.14
IUPAC Name4-[[2-(3-hydroxy-3-methyl-2-oxoindol-1-yl)-4-pyridinyl]methyl]-2H-phthalazin-1-one
SMILESCC1(O)C(=O)N(c2cc(Cc3n[nH]c(=O)c4ccccc34)ccn2)c2ccccc21
InChIInChI=1S/C23H18N4O3/c1-23(30)17-8-4-5-9-19(17)27(22(23)29)20-13-14(10-11-24-20)12-18-15-6-2-3-7-16(15)21(28)26-25-18/h2-11,13,30H,12H2,1H3,(H,26,28)
InChIKeyLNJKLGOXKMEXLD-UHFFFAOYSA-N
XLogP2.79
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[2-(3-hydroxy-3-methyl-2-oxoindol-1-yl)-4-pyridinyl]methyl]-2H-phthalazin-1-one 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

4-[[5-[(3S)-3-hydroxy-3-methyl-2-oxoindol-1-yl]-3-pyridinyl]methyl]-2H-phthalazin-1-one;methanesulfonic acid
CID 174241335
7-fluoro-4-[[4-fluoro-3-(3-hydroxy-3-methyl-2-oxoindol-1-yl)phenyl]methyl]-2H-phthalazin-1-one
CID 166492246
4-[[5-[3-methyl-3-(methylamino)-2-oxoindol-1-yl]-3-pyridinyl]methyl]-2H-phthalazin-1-one
CID 163274515
7-fluoro-4-[[2-(3-hydroxy-3-methyl-2-oxoindol-1-yl)-4-pyridinyl]methyl]-1,2-dihydrophthalazine-1-carbaldehyde
CID 175373885
N-[3-methyl-2-oxo-1-[5-[(4-oxo-3H-phthalazin-1-yl)methyl]-3-pyridinyl]indol-3-yl]ethanesulfonamide
CID 172692585
7-fluoro-4-[[5-(6-fluoro-3-hydroxy-3-methyl-2-oxoindol-1-yl)-3-pyridinyl]methyl]-2H-phthalazin-1-one
CID 166492283
4-[[3-(3-amino-3-methyl-2-oxoindol-1-yl)-4-fluorophenyl]methyl]-7-fluoro-2H-phthalazin-1-one
CID 163274545
4-[[3-(2,5-dihydroxypyrrol-1-yl)phenyl]methyl]-2H-phthalazin-1-one
CID 91219912
4-[[4-fluoro-3-(4-hydroxy-4-methylpiperidine-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one;2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid
CID 161356670
4-[(3-ethyl-4-fluorophenyl)methyl]-2H-phthalazin-1-one
CID 148786436
4-[(3-acetyl-4-fluorophenyl)methyl]-2H-phthalazin-1-one
CID 70255127
2-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 18444348

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-hydroxy-3-methyl-2-oxoindol-1-yl)-4-pyridinyl]methyl]-2H-phthalazin-1-one?
The IUPAC name of 4-[[2-(3-hydroxy-3-methyl-2-oxoindol-1-yl)-4-pyridinyl]methyl]-2H-phthalazin-1-one (CID 166492273) is 4-[[2-(3-hydroxy-3-methyl-2-oxoindol-1-yl)-4-pyridinyl]methyl]-2H-phthalazin-1-one.
What is the SMILES notation for 4-[[2-(3-hydroxy-3-methyl-2-oxoindol-1-yl)-4-pyridinyl]methyl]-2H-phthalazin-1-one?
The canonical SMILES for 4-[[2-(3-hydroxy-3-methyl-2-oxoindol-1-yl)-4-pyridinyl]methyl]-2H-phthalazin-1-one is CC1(O)C(=O)N(c2cc(Cc3n[nH]c(=O)c4ccccc34)ccn2)c2ccccc21.
What is the InChIKey of 4-[[2-(3-hydroxy-3-methyl-2-oxoindol-1-yl)-4-pyridinyl]methyl]-2H-phthalazin-1-one?
The InChIKey is LNJKLGOXKMEXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O3/c1-23(30)17-8-4-5-9-19(17)27(22(23)29)20-13-14(10-11-24-20)12-18-15-6-2-3-7-16(15)21(28)26-25-18/h2-11,13,30H,12H2,1H3,(H,26,28).
What are the key properties of 4-[[2-(3-hydroxy-3-methyl-2-oxoindol-1-yl)-4-pyridinyl]methyl]-2H-phthalazin-1-one?
4-[[2-(3-hydroxy-3-methyl-2-oxoindol-1-yl)-4-pyridinyl]methyl]-2H-phthalazin-1-one has a molecular weight of 398.42 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-hydroxy-3-methyl-2-oxoindol-1-yl)-4-pyridinyl]methyl]-2H-phthalazin-1-one is sourced from PubChem (CID 166492273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).