7-fluoro-4-[[2-(3-hydroxy-3-methyl-2-oxoindol-1-yl)-4-pyridinyl]methyl]-1,2-dihydrophthalazine-1-carbaldehyde

C24H19FN4O3 — CID 175373885

IUPAC7-fluoro-4-[[2-(3-hydroxy-3-methyl-2-oxoindol-1-yl)-4-pyridinyl]methyl]-1,2-dihydrophthalazine-1-carbaldehyde
SMILESCC1(O)C(=O)N(c2cc(CC3=NNC(C=O)c4cc(F)ccc43)ccn2)c2ccccc21
InChIInChI=1S/C24H19FN4O3/c1-24(32)18-4-2-3-5-21(18)29(23(24)31)22-11-14(8-9-26-22)10-19-16-7-6-15(25)12-17(16)20(13-30)28-27-19/h2-9,11-13,20,28,32H,10H2,1H3
InChIKeyAXNGCKZEBHRYRQ-UHFFFAOYSA-N
MW430.44 g/mol
LogP2.90
Rot. Bonds4

About 7-fluoro-4-[[2-(3-hydroxy-3-methyl-2-oxoindol-1-yl)-4-pyridinyl]methyl]-1,2-dihydrophthalazine-1-carbaldehyde

7-fluoro-4-[[2-(3-hydroxy-3-methyl-2-oxoindol-1-yl)-4-pyridinyl]methyl]-1,2-dihydrophthalazine-1-carbaldehyde (PubChem CID 175373885) has the molecular formula C24H19FN4O3 and a molecular weight of 430.44 g/mol. Its IUPAC name is 7-fluoro-4-[[2-(3-hydroxy-3-methyl-2-oxoindol-1-yl)-4-pyridinyl]methyl]-1,2-dihydrophthalazine-1-carbaldehyde.

Molecular Properties

Compound Name7-fluoro-4-[[2-(3-hydroxy-3-methyl-2-oxoindol-1-yl)-4-pyridinyl]methyl]-1,2-dihydrophthalazine-1-carbaldehyde
PubChem CID175373885
Molecular FormulaC24H19FN4O3
Molecular Weight430.44 g/mol
Exact Mass430.14
IUPAC Name7-fluoro-4-[[2-(3-hydroxy-3-methyl-2-oxoindol-1-yl)-4-pyridinyl]methyl]-1,2-dihydrophthalazine-1-carbaldehyde
SMILESCC1(O)C(=O)N(c2cc(CC3=NNC(C=O)c4cc(F)ccc43)ccn2)c2ccccc21
InChIInChI=1S/C24H19FN4O3/c1-24(32)18-4-2-3-5-21(18)29(23(24)31)22-11-14(8-9-26-22)10-19-16-7-6-15(25)12-17(16)20(13-30)28-27-19/h2-9,11-13,20,28,32H,10H2,1H3
InChIKeyAXNGCKZEBHRYRQ-UHFFFAOYSA-N
XLogP2.90
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.44
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-(3-hydroxy-3-methyl-2-oxoindol-1-yl)-4-pyridinyl]methyl]-2H-phthalazin-1-one
CID 166492273
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
(3R)-3-hydroxy-1,3-dimethylindol-2-one
CID 102086681
6-fluoro-1-[5-[(5-fluoro-3-oxo-2-benzofuran-1-ylidene)methyl]-3-pyridinyl]-3-hydroxy-3-methylindol-2-one
CID 166492315
3-amino-5-(2-fluorophenyl)-3-methyl-1-(4-methyl-2-pyridinyl)-1,4-benzodiazepin-2-one
CID 67617531
11-hydroxy-5,11-dimethylbenzo[c][1]benzazepin-6-one
CID 14203513
3-hydroxy-3-methyl-1-prop-2-enylindol-2-one
CID 177313716
(4S)-4-hydroxy-4-methyl-2H-imidazo[1,2-a]indol-1-one
CID 11805766
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
(3S)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-(pyridin-4-ylmethyl)indol-2-one
CID 7328364

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-[[2-(3-hydroxy-3-methyl-2-oxoindol-1-yl)-4-pyridinyl]methyl]-1,2-dihydrophthalazine-1-carbaldehyde?
The IUPAC name of 7-fluoro-4-[[2-(3-hydroxy-3-methyl-2-oxoindol-1-yl)-4-pyridinyl]methyl]-1,2-dihydrophthalazine-1-carbaldehyde (CID 175373885) is 7-fluoro-4-[[2-(3-hydroxy-3-methyl-2-oxoindol-1-yl)-4-pyridinyl]methyl]-1,2-dihydrophthalazine-1-carbaldehyde.
What is the SMILES notation for 7-fluoro-4-[[2-(3-hydroxy-3-methyl-2-oxoindol-1-yl)-4-pyridinyl]methyl]-1,2-dihydrophthalazine-1-carbaldehyde?
The canonical SMILES for 7-fluoro-4-[[2-(3-hydroxy-3-methyl-2-oxoindol-1-yl)-4-pyridinyl]methyl]-1,2-dihydrophthalazine-1-carbaldehyde is CC1(O)C(=O)N(c2cc(CC3=NNC(C=O)c4cc(F)ccc43)ccn2)c2ccccc21.
What is the InChIKey of 7-fluoro-4-[[2-(3-hydroxy-3-methyl-2-oxoindol-1-yl)-4-pyridinyl]methyl]-1,2-dihydrophthalazine-1-carbaldehyde?
The InChIKey is AXNGCKZEBHRYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O3/c1-24(32)18-4-2-3-5-21(18)29(23(24)31)22-11-14(8-9-26-22)10-19-16-7-6-15(25)12-17(16)20(13-30)28-27-19/h2-9,11-13,20,28,32H,10H2,1H3.
What are the key properties of 7-fluoro-4-[[2-(3-hydroxy-3-methyl-2-oxoindol-1-yl)-4-pyridinyl]methyl]-1,2-dihydrophthalazine-1-carbaldehyde?
7-fluoro-4-[[2-(3-hydroxy-3-methyl-2-oxoindol-1-yl)-4-pyridinyl]methyl]-1,2-dihydrophthalazine-1-carbaldehyde has a molecular weight of 430.44 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-[[2-(3-hydroxy-3-methyl-2-oxoindol-1-yl)-4-pyridinyl]methyl]-1,2-dihydrophthalazine-1-carbaldehyde is sourced from PubChem (CID 175373885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).