4-[4-[6-(5-fluoropyrimidin-2-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine

C21H18FN5O — CID 157270585

IUPAC4-[4-[6-(5-fluoropyrimidin-2-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine
SMILESFc1cnc(-c2ccc3c(c2)C(c2ccnc(N4CCOCC4)c2)=NC3)nc1
InChIInChI=1S/C21H18FN5O/c22-17-12-25-21(26-13-17)15-1-2-16-11-24-20(18(16)9-15)14-3-4-23-19(10-14)27-5-7-28-8-6-27/h1-4,9-10,12-13H,5-8,11H2
InChIKeyKWZBVOXGWFWYBD-UHFFFAOYSA-N
MW375.41 g/mol
LogP2.87
Rot. Bonds3

About 4-[4-[6-(5-fluoropyrimidin-2-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine

4-[4-[6-(5-fluoropyrimidin-2-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine (PubChem CID 157270585) has the molecular formula C21H18FN5O and a molecular weight of 375.41 g/mol. Its IUPAC name is 4-[4-[6-(5-fluoropyrimidin-2-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[4-[6-(5-fluoropyrimidin-2-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine
PubChem CID157270585
Molecular FormulaC21H18FN5O
Molecular Weight375.41 g/mol
Exact Mass375.15
IUPAC Name4-[4-[6-(5-fluoropyrimidin-2-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine
SMILESFc1cnc(-c2ccc3c(c2)C(c2ccnc(N4CCOCC4)c2)=NC3)nc1
InChIInChI=1S/C21H18FN5O/c22-17-12-25-21(26-13-17)15-1-2-16-11-24-20(18(16)9-15)14-3-4-23-19(10-14)27-5-7-28-8-6-27/h1-4,9-10,12-13H,5-8,11H2
InChIKeyKWZBVOXGWFWYBD-UHFFFAOYSA-N
XLogP2.87
TPSA63.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-[6-(5-fluoropyrimidin-2-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine with MolForge

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Related Compounds

Buparlisib
CID 16654980
Azd-3839
CID 46202416
5-(4-(Dimethylamino)phenyl)-6-(6-morpholin-4-ylpyridin-3-ylethynyl)pyrimidin-4-ylamine
CID 11987868
(3S)-7-fluoro-3-pyridin-4-yl-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine
CID 46205968
SB-210313
CID 9885504
2,4-Pyrimidinediamine, N4-[[4-[[(2-chloro-5-fluoro-4-pyrimidinyl)amino]methyl]phenyl]methyl]-N2-[2-(4-morpholinyl)ethyl]-
CID 49857283
6-{2-[6-(Morpholin-4-yl)pyridin-3-yl]ethynyl}-5-(3-phenylpropyl)pyrimidin-4-amine
CID 10883874
5-Benzyl-6-{2-[6-(morpholin-4-yl)pyridin-3-yl]ethynyl}pyrimidin-4-amine
CID 10959648
5-(2,3-Dimethyl-cyclohexyl)-7-(6-morpholin-4-yl-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 44381850
4-(4-Fluorophenyl)-5-(2-morpholinoethyl)-2-pyrimidinamine
CID 3578049
1-(2-Pyrimidinyl)-4-[(5-(4-fluorophenyl)-3-pyridyl)methyl]piperazine
CID 15840855
5-(2-Morpholin-4-yl-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyridin-2-amine
CID 24889937

Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-(5-fluoropyrimidin-2-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine?
The IUPAC name of 4-[4-[6-(5-fluoropyrimidin-2-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine (CID 157270585) is 4-[4-[6-(5-fluoropyrimidin-2-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[4-[6-(5-fluoropyrimidin-2-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[4-[6-(5-fluoropyrimidin-2-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine is Fc1cnc(-c2ccc3c(c2)C(c2ccnc(N4CCOCC4)c2)=NC3)nc1.
What is the InChIKey of 4-[4-[6-(5-fluoropyrimidin-2-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine?
The InChIKey is KWZBVOXGWFWYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O/c22-17-12-25-21(26-13-17)15-1-2-16-11-24-20(18(16)9-15)14-3-4-23-19(10-14)27-5-7-28-8-6-27/h1-4,9-10,12-13H,5-8,11H2.
What are the key properties of 4-[4-[6-(5-fluoropyrimidin-2-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine?
4-[4-[6-(5-fluoropyrimidin-2-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine has a molecular weight of 375.41 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-(5-fluoropyrimidin-2-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 157270585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).