2-[6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]acetaldehyde

C19H18FN3O2 — CID 159734349

IUPAC2-[6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]acetaldehyde
SMILESO=CCc1cc2c(cc1F)CN=C2c1ccnc(N2CCOCC2)c1
InChIInChI=1S/C19H18FN3O2/c20-17-10-15-12-22-19(16(15)9-13(17)2-6-24)14-1-3-21-18(11-14)23-4-7-25-8-5-23/h1,3,6,9-11H,2,4-5,7-8,12H2
InChIKeyVTUZVSNWXPYYNZ-UHFFFAOYSA-N
MW339.37 g/mol
LogP2.15
Rot. Bonds4

About 2-[6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]acetaldehyde

2-[6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]acetaldehyde (PubChem CID 159734349) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is 2-[6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]acetaldehyde.

Molecular Properties

Compound Name2-[6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]acetaldehyde
PubChem CID159734349
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name2-[6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]acetaldehyde
SMILESO=CCc1cc2c(cc1F)CN=C2c1ccnc(N2CCOCC2)c1
InChIInChI=1S/C19H18FN3O2/c20-17-10-15-12-22-19(16(15)9-13(17)2-6-24)14-1-3-21-18(11-14)23-4-7-25-8-5-23/h1,3,6,9-11H,2,4-5,7-8,12H2
InChIKeyVTUZVSNWXPYYNZ-UHFFFAOYSA-N
XLogP2.15
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]acetaldehyde
CID 90400719
[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanol
CID 158695124
4-[4-(5-phenyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine
CID 157153991
4-[4-(6-cyclopropyl-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]morpholine
CID 157234129
4-[4-[6-(2-fluoro-4-phenylmethoxy-3-pyridinyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine
CID 158201407
4-[3-[4-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperazin-1-yl]propyl]morpholine
CID 157491720
N-methyl-N-[[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methyl]cyclopentanamine
CID 158445506
4-[4-(4-ethoxy-1H-pyrrolo[3,4-c]pyridin-3-yl)-2-pyridinyl]morpholine
CID 66826994
3-(2-morpholin-4-yl-4-pyridinyl)-2,1λ2-benzazastannole-5-carbaldehyde
CID 144697800
bis(4-[4-[6-(3-methoxypyrazin-2-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine);3-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]-1H-pyrazin-2-one
CID 158237842
6-fluoro-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-isoindole
CID 147132055
4-[4-[6-fluoro-5-(methylsulfonylmethyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine
CID 90400995

Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]acetaldehyde?
The IUPAC name of 2-[6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]acetaldehyde (CID 159734349) is 2-[6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]acetaldehyde.
What is the SMILES notation for 2-[6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]acetaldehyde?
The canonical SMILES for 2-[6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]acetaldehyde is O=CCc1cc2c(cc1F)CN=C2c1ccnc(N2CCOCC2)c1.
What is the InChIKey of 2-[6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]acetaldehyde?
The InChIKey is VTUZVSNWXPYYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c20-17-10-15-12-22-19(16(15)9-13(17)2-6-24)14-1-3-21-18(11-14)23-4-7-25-8-5-23/h1,3,6,9-11H,2,4-5,7-8,12H2.
What are the key properties of 2-[6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]acetaldehyde?
2-[6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]acetaldehyde has a molecular weight of 339.37 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]acetaldehyde is sourced from PubChem (CID 159734349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).