1-[5-[(6-fluorophthalazin-1-yl)methyl]-3-pyridinyl]-3-hydroxy-3-methylindol-2-one

C23H17FN4O2 — CID 175833686

IUPAC1-[5-[(6-fluorophthalazin-1-yl)methyl]-3-pyridinyl]-3-hydroxy-3-methylindol-2-one
SMILESCC1(O)C(=O)N(c2cncc(Cc3nncc4cc(F)ccc34)c2)c2ccccc21
InChIInChI=1S/C23H17FN4O2/c1-23(30)19-4-2-3-5-21(19)28(22(23)29)17-8-14(11-25-13-17)9-20-18-7-6-16(24)10-15(18)12-26-27-20/h2-8,10-13,30H,9H2,1H3
InChIKeyOZCMPJFCUHDKGE-UHFFFAOYSA-N
MW400.41 g/mol
LogP3.64
Rot. Bonds3

About 1-[5-[(6-fluorophthalazin-1-yl)methyl]-3-pyridinyl]-3-hydroxy-3-methylindol-2-one

1-[5-[(6-fluorophthalazin-1-yl)methyl]-3-pyridinyl]-3-hydroxy-3-methylindol-2-one (PubChem CID 175833686) has the molecular formula C23H17FN4O2 and a molecular weight of 400.41 g/mol. Its IUPAC name is 1-[5-[(6-fluorophthalazin-1-yl)methyl]-3-pyridinyl]-3-hydroxy-3-methylindol-2-one.

Molecular Properties

Compound Name1-[5-[(6-fluorophthalazin-1-yl)methyl]-3-pyridinyl]-3-hydroxy-3-methylindol-2-one
PubChem CID175833686
Molecular FormulaC23H17FN4O2
Molecular Weight400.41 g/mol
Exact Mass400.13
IUPAC Name1-[5-[(6-fluorophthalazin-1-yl)methyl]-3-pyridinyl]-3-hydroxy-3-methylindol-2-one
SMILESCC1(O)C(=O)N(c2cncc(Cc3nncc4cc(F)ccc34)c2)c2ccccc21
InChIInChI=1S/C23H17FN4O2/c1-23(30)19-4-2-3-5-21(19)28(22(23)29)17-8-14(11-25-13-17)9-20-18-7-6-16(24)10-15(18)12-26-27-20/h2-8,10-13,30H,9H2,1H3
InChIKeyOZCMPJFCUHDKGE-UHFFFAOYSA-N
XLogP3.64
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.41
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-fluoro-4-[[5-(6-fluoro-3-hydroxy-3-methyl-2-oxoindol-1-yl)-3-pyridinyl]methyl]-2H-phthalazin-1-one
CID 166492283
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
4-[[5-[3-methyl-3-(methylamino)-2-oxoindol-1-yl]-3-pyridinyl]methyl]-2H-phthalazin-1-one
CID 163274515
6-fluoro-1-[5-[(5-fluoro-3-oxo-2-benzofuran-1-ylidene)methyl]-3-pyridinyl]-3-hydroxy-3-methylindol-2-one
CID 166492315
N-[3-methyl-2-oxo-1-[5-[(4-oxo-3H-phthalazin-1-yl)methyl]-3-pyridinyl]indol-3-yl]ethanesulfonamide
CID 172692585
4-[[2-(3-hydroxy-3-methyl-2-oxoindol-1-yl)-4-pyridinyl]methyl]-2H-phthalazin-1-one
CID 166492273
7-fluoro-4-[[2-(3-hydroxy-3-methyl-2-oxoindol-1-yl)-4-pyridinyl]methyl]-1,2-dihydrophthalazine-1-carbaldehyde
CID 175373885
(3R)-3-hydroxy-1,3-dimethylindol-2-one
CID 102086681
4-[[3-(3-amino-3-methyl-2-oxoindol-1-yl)-4-fluorophenyl]methyl]-7-fluoro-2H-phthalazin-1-one
CID 163274545
2,3-difluoro-6,11-bis(5,5,6,6-tetramethylbenzo[b][1]benzazepin-11-yl)pyrazino[2,3-f][1,10]phenanthroline
CID 144946696

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(6-fluorophthalazin-1-yl)methyl]-3-pyridinyl]-3-hydroxy-3-methylindol-2-one?
The IUPAC name of 1-[5-[(6-fluorophthalazin-1-yl)methyl]-3-pyridinyl]-3-hydroxy-3-methylindol-2-one (CID 175833686) is 1-[5-[(6-fluorophthalazin-1-yl)methyl]-3-pyridinyl]-3-hydroxy-3-methylindol-2-one.
What is the SMILES notation for 1-[5-[(6-fluorophthalazin-1-yl)methyl]-3-pyridinyl]-3-hydroxy-3-methylindol-2-one?
The canonical SMILES for 1-[5-[(6-fluorophthalazin-1-yl)methyl]-3-pyridinyl]-3-hydroxy-3-methylindol-2-one is CC1(O)C(=O)N(c2cncc(Cc3nncc4cc(F)ccc34)c2)c2ccccc21.
What is the InChIKey of 1-[5-[(6-fluorophthalazin-1-yl)methyl]-3-pyridinyl]-3-hydroxy-3-methylindol-2-one?
The InChIKey is OZCMPJFCUHDKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN4O2/c1-23(30)19-4-2-3-5-21(19)28(22(23)29)17-8-14(11-25-13-17)9-20-18-7-6-16(24)10-15(18)12-26-27-20/h2-8,10-13,30H,9H2,1H3.
What are the key properties of 1-[5-[(6-fluorophthalazin-1-yl)methyl]-3-pyridinyl]-3-hydroxy-3-methylindol-2-one?
1-[5-[(6-fluorophthalazin-1-yl)methyl]-3-pyridinyl]-3-hydroxy-3-methylindol-2-one has a molecular weight of 400.41 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(6-fluorophthalazin-1-yl)methyl]-3-pyridinyl]-3-hydroxy-3-methylindol-2-one is sourced from PubChem (CID 175833686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).