3-(2-fluoro-4-pyridinyl)-1H-isoindol-5-ol;morpholine;3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-ol

C34H35FN6O4 — CID 158035972

IUPAC3-(2-fluoro-4-pyridinyl)-1H-isoindol-5-ol;morpholine;3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-ol
SMILESC1COCCN1.Oc1ccc2c(c1)C(c1ccnc(F)c1)=NC2.Oc1ccc2c(c1)C(c1ccnc(N3CCOCC3)c1)=NC2
InChIInChI=1S/C17H17N3O2.C13H9FN2O.C4H9NO/c21-14-2-1-13-11-19-17(15(13)10-14)12-3-4-18-16(9-12)20-5-7-22-8-6-20;14-12-5-8(3-4-15-12)13-11-6-10(17)2-1-9(11)7-16-13;1-3-6-4-2-5-1/h1-4,9-10,21H,5-8,11H2;1-6,17H,7H2;5H,1-4H2
InChIKeyFHTBNLQUALEEPB-UHFFFAOYSA-N
MW610.69 g/mol
LogP3.86
Rot. Bonds3

About 3-(2-fluoro-4-pyridinyl)-1H-isoindol-5-ol;morpholine;3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-ol

3-(2-fluoro-4-pyridinyl)-1H-isoindol-5-ol;morpholine;3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-ol (PubChem CID 158035972) has the molecular formula C34H35FN6O4 and a molecular weight of 610.69 g/mol. Its IUPAC name is 3-(2-fluoro-4-pyridinyl)-1H-isoindol-5-ol;morpholine;3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-ol.

Molecular Properties

Compound Name3-(2-fluoro-4-pyridinyl)-1H-isoindol-5-ol;morpholine;3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-ol
PubChem CID158035972
Molecular FormulaC34H35FN6O4
Molecular Weight610.69 g/mol
Exact Mass610.27
IUPAC Name3-(2-fluoro-4-pyridinyl)-1H-isoindol-5-ol;morpholine;3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-ol
SMILESC1COCCN1.Oc1ccc2c(c1)C(c1ccnc(F)c1)=NC2.Oc1ccc2c(c1)C(c1ccnc(N3CCOCC3)c1)=NC2
InChIInChI=1S/C17H17N3O2.C13H9FN2O.C4H9NO/c21-14-2-1-13-11-19-17(15(13)10-14)12-3-4-18-16(9-12)20-5-7-22-8-6-20;14-12-5-8(3-4-15-12)13-11-6-10(17)2-1-9(11)7-16-13;1-3-6-4-2-5-1/h1-4,9-10,21H,5-8,11H2;1-6,17H,7H2;5H,1-4H2
InChIKeyFHTBNLQUALEEPB-UHFFFAOYSA-N
XLogP3.86
TPSA124.69 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500610.69
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-(2-Morpholino-6-(2-(pyridin-4-yl)ethylamino)pyrimidin-4-yl)phenol
CID 51346892
3-(2-Morpholino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl)phenol
CID 52946248
3-(2-Morpholino-6-(pyridin-4-ylmethylamino)pyrimidin-4-yl)phenol
CID 53320906
3-(2-Morpholino-6-(2-(pyridin-2-yl)ethylamino)pyrimidin-4-yl)phenol
CID 53325374
3-(2-Morpholino-6-(2-(pyridin-3-yl)ethylamino)pyrimidin-4-yl)phenol
CID 53326166
3-(6-Morpholino-2-(2-(pyridin-2-yl)ethylamino)pyrimidin-4-yl)phenol
CID 53320017
3-(6-Morpholino-2-(pyridin-4-ylmethylamino)pyrimidin-4-yl)phenol
CID 53320907
3-(6-Morpholino-2-(2-(pyridin-3-yl)ethylamino)pyrimidin-4-yl)phenol
CID 53323982
3-(6-Morpholino-2-(2-(pyridin-4-yl)ethylamino)pyrimidin-4-yl)phenol
CID 53323983
3-(6-Morpholino-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl)phenol
CID 53324888
3-[4-[[6-[(E)-2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]ethenyl]-3-pyridinyl]amino]phenyl]phenol
CID 44177133
3-[4-[[6-[(5-Fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-3-pyridinyl]amino]phenyl]phenol
CID 44177135

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-pyridinyl)-1H-isoindol-5-ol;morpholine;3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-ol?
The IUPAC name of 3-(2-fluoro-4-pyridinyl)-1H-isoindol-5-ol;morpholine;3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-ol (CID 158035972) is 3-(2-fluoro-4-pyridinyl)-1H-isoindol-5-ol;morpholine;3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-ol.
What is the SMILES notation for 3-(2-fluoro-4-pyridinyl)-1H-isoindol-5-ol;morpholine;3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-ol?
The canonical SMILES for 3-(2-fluoro-4-pyridinyl)-1H-isoindol-5-ol;morpholine;3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-ol is C1COCCN1.Oc1ccc2c(c1)C(c1ccnc(F)c1)=NC2.Oc1ccc2c(c1)C(c1ccnc(N3CCOCC3)c1)=NC2.
What is the InChIKey of 3-(2-fluoro-4-pyridinyl)-1H-isoindol-5-ol;morpholine;3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-ol?
The InChIKey is FHTBNLQUALEEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2.C13H9FN2O.C4H9NO/c21-14-2-1-13-11-19-17(15(13)10-14)12-3-4-18-16(9-12)20-5-7-22-8-6-20;14-12-5-8(3-4-15-12)13-11-6-10(17)2-1-9(11)7-16-13;1-3-6-4-2-5-1/h1-4,9-10,21H,5-8,11H2;1-6,17H,7H2;5H,1-4H2.
What are the key properties of 3-(2-fluoro-4-pyridinyl)-1H-isoindol-5-ol;morpholine;3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-ol?
3-(2-fluoro-4-pyridinyl)-1H-isoindol-5-ol;morpholine;3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-ol has a molecular weight of 610.69 g/mol, XLogP of 3.86, 3 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-pyridinyl)-1H-isoindol-5-ol;morpholine;3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-ol is sourced from PubChem (CID 158035972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).