7-fluoro-4-[[5-(6-fluoro-3-hydroxy-3-methyl-2-oxoindol-1-yl)-3-pyridinyl]methyl]-2H-phthalazin-1-one

C23H16F2N4O3 — CID 166492283

IUPAC7-fluoro-4-[[5-(6-fluoro-3-hydroxy-3-methyl-2-oxoindol-1-yl)-3-pyridinyl]methyl]-2H-phthalazin-1-one
SMILESCC1(O)C(=O)N(c2cncc(Cc3n[nH]c(=O)c4cc(F)ccc34)c2)c2cc(F)ccc21
InChIInChI=1S/C23H16F2N4O3/c1-23(32)18-5-3-14(25)9-20(18)29(22(23)31)15-6-12(10-26-11-15)7-19-16-4-2-13(24)8-17(16)21(30)28-27-19/h2-6,8-11,32H,7H2,1H3,(H,28,30)
InChIKeyGJUFNHSWNCRVNA-UHFFFAOYSA-N
MW434.40 g/mol
LogP3.07
Rot. Bonds3

About 7-fluoro-4-[[5-(6-fluoro-3-hydroxy-3-methyl-2-oxoindol-1-yl)-3-pyridinyl]methyl]-2H-phthalazin-1-one

7-fluoro-4-[[5-(6-fluoro-3-hydroxy-3-methyl-2-oxoindol-1-yl)-3-pyridinyl]methyl]-2H-phthalazin-1-one (PubChem CID 166492283) has the molecular formula C23H16F2N4O3 and a molecular weight of 434.40 g/mol. Its IUPAC name is 7-fluoro-4-[[5-(6-fluoro-3-hydroxy-3-methyl-2-oxoindol-1-yl)-3-pyridinyl]methyl]-2H-phthalazin-1-one.

Molecular Properties

Compound Name7-fluoro-4-[[5-(6-fluoro-3-hydroxy-3-methyl-2-oxoindol-1-yl)-3-pyridinyl]methyl]-2H-phthalazin-1-one
PubChem CID166492283
Molecular FormulaC23H16F2N4O3
Molecular Weight434.40 g/mol
Exact Mass434.12
IUPAC Name7-fluoro-4-[[5-(6-fluoro-3-hydroxy-3-methyl-2-oxoindol-1-yl)-3-pyridinyl]methyl]-2H-phthalazin-1-one
SMILESCC1(O)C(=O)N(c2cncc(Cc3n[nH]c(=O)c4cc(F)ccc34)c2)c2cc(F)ccc21
InChIInChI=1S/C23H16F2N4O3/c1-23(32)18-5-3-14(25)9-20(18)29(22(23)31)15-6-12(10-26-11-15)7-19-16-4-2-13(24)8-17(16)21(30)28-27-19/h2-6,8-11,32H,7H2,1H3,(H,28,30)
InChIKeyGJUFNHSWNCRVNA-UHFFFAOYSA-N
XLogP3.07
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.40
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-fluoro-4-[[5-(6-fluoro-3-hydroxy-3-methyl-2-oxoindol-1-yl)-3-pyridinyl]methyl]-2H-phthalazin-1-one with MolForge

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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
benzenesulfonic acid;4-[[5-[(3R)-3-hydroxy-3-methyl-2-oxoindol-1-yl]-3-pyridinyl]methyl]-2H-phthalazin-1-one
CID 174241336
7-fluoro-4-[[4-fluoro-3-(3-hydroxy-3-methyl-2-oxoindol-1-yl)phenyl]methyl]-2H-phthalazin-1-one
CID 166492246
1-[5-[(6-fluorophthalazin-1-yl)methyl]-3-pyridinyl]-3-hydroxy-3-methylindol-2-one
CID 175833686
4-[[5-[3-methyl-3-(methylamino)-2-oxoindol-1-yl]-3-pyridinyl]methyl]-2H-phthalazin-1-one
CID 163274515
N-[3-methyl-2-oxo-1-[5-[(4-oxo-3H-phthalazin-1-yl)methyl]-3-pyridinyl]indol-3-yl]ethanesulfonamide
CID 172692585
4-[[3-(3-amino-3-methyl-2-oxoindol-1-yl)-4-fluorophenyl]methyl]-7-fluoro-2H-phthalazin-1-one
CID 163274545
4-[[2-(3-hydroxy-3-methyl-2-oxoindol-1-yl)-4-pyridinyl]methyl]-2H-phthalazin-1-one
CID 166492273
6-fluoro-1-[5-[(5-fluoro-3-oxo-2-benzofuran-1-ylidene)methyl]-3-pyridinyl]-3-hydroxy-3-methylindol-2-one
CID 166492315
7-fluoro-4-[[4-fluoro-3-(4-hydroxy-1-pyrimidin-2-yl-1,4-azaphosphinan-4-ium-4-yl)phenyl]methyl]-2H-phthalazin-1-one
CID 90314853
N-[1-[(3-fluorophenyl)methyl]-4-oxo-3H-phthalazin-6-yl]propanamide
CID 69151061
7-fluoro-4-prop-1-en-2-yl-2H-phthalazin-1-one
CID 175783636

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-[[5-(6-fluoro-3-hydroxy-3-methyl-2-oxoindol-1-yl)-3-pyridinyl]methyl]-2H-phthalazin-1-one?
The IUPAC name of 7-fluoro-4-[[5-(6-fluoro-3-hydroxy-3-methyl-2-oxoindol-1-yl)-3-pyridinyl]methyl]-2H-phthalazin-1-one (CID 166492283) is 7-fluoro-4-[[5-(6-fluoro-3-hydroxy-3-methyl-2-oxoindol-1-yl)-3-pyridinyl]methyl]-2H-phthalazin-1-one.
What is the SMILES notation for 7-fluoro-4-[[5-(6-fluoro-3-hydroxy-3-methyl-2-oxoindol-1-yl)-3-pyridinyl]methyl]-2H-phthalazin-1-one?
The canonical SMILES for 7-fluoro-4-[[5-(6-fluoro-3-hydroxy-3-methyl-2-oxoindol-1-yl)-3-pyridinyl]methyl]-2H-phthalazin-1-one is CC1(O)C(=O)N(c2cncc(Cc3n[nH]c(=O)c4cc(F)ccc34)c2)c2cc(F)ccc21.
What is the InChIKey of 7-fluoro-4-[[5-(6-fluoro-3-hydroxy-3-methyl-2-oxoindol-1-yl)-3-pyridinyl]methyl]-2H-phthalazin-1-one?
The InChIKey is GJUFNHSWNCRVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F2N4O3/c1-23(32)18-5-3-14(25)9-20(18)29(22(23)31)15-6-12(10-26-11-15)7-19-16-4-2-13(24)8-17(16)21(30)28-27-19/h2-6,8-11,32H,7H2,1H3,(H,28,30).
What are the key properties of 7-fluoro-4-[[5-(6-fluoro-3-hydroxy-3-methyl-2-oxoindol-1-yl)-3-pyridinyl]methyl]-2H-phthalazin-1-one?
7-fluoro-4-[[5-(6-fluoro-3-hydroxy-3-methyl-2-oxoindol-1-yl)-3-pyridinyl]methyl]-2H-phthalazin-1-one has a molecular weight of 434.40 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-[[5-(6-fluoro-3-hydroxy-3-methyl-2-oxoindol-1-yl)-3-pyridinyl]methyl]-2H-phthalazin-1-one is sourced from PubChem (CID 166492283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).