[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanol

C18H19N3O2 — CID 158695124

IUPAC[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanol
SMILESOCc1ccc2c(c1)C(c1ccnc(N3CCOCC3)c1)=NC2
InChIInChI=1S/C18H19N3O2/c22-12-13-1-2-15-11-20-18(16(15)9-13)14-3-4-19-17(10-14)21-5-7-23-8-6-21/h1-4,9-10,22H,5-8,11-12H2
InChIKeyOXULHNBEQXQLDY-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.76
Rot. Bonds3

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

[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanol (PubChem CID 158695124) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is [3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanol.

Molecular Properties

Compound Name[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanol
PubChem CID158695124
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanol
SMILESOCc1ccc2c(c1)C(c1ccnc(N3CCOCC3)c1)=NC2
InChIInChI=1S/C18H19N3O2/c22-12-13-1-2-15-11-20-18(16(15)9-13)14-3-4-19-17(10-14)21-5-7-23-8-6-21/h1-4,9-10,22H,5-8,11-12H2
InChIKeyOXULHNBEQXQLDY-UHFFFAOYSA-N
XLogP1.76
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methyl]cyclopentanamine
CID 158445506
4-[4-(5-phenyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine
CID 157153991
4-[4-[6-(2-fluoro-4-phenylmethoxy-3-pyridinyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine
CID 158201407
4-[4-(6-cyclopropyl-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]morpholine
CID 157234129
4-[3-[4-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperazin-1-yl]propyl]morpholine
CID 157491720
2-[6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]acetaldehyde
CID 159734349
4-[4-(4-ethoxy-1H-pyrrolo[3,4-c]pyridin-3-yl)-2-pyridinyl]morpholine
CID 66826994
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
1-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperidin-4-ol
CID 158273269
3-[2-(azetidin-1-yl)-4-pyridinyl]-5-cyclopropyloxy-1H-isoindole
CID 159523081
[1-[[3-(6-morpholin-4-ylpyrimidin-4-yl)-1H-isoindol-5-yl]oxy]cyclopropyl]methanol
CID 158752701
4-[6-(6-pyrimidin-5-yl-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine
CID 159647573

Frequently Asked Questions

What is the IUPAC name of [3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanol?
The IUPAC name of [3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanol (CID 158695124) is [3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanol.
What is the SMILES notation for [3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanol?
The canonical SMILES for [3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanol is OCc1ccc2c(c1)C(c1ccnc(N3CCOCC3)c1)=NC2.
What is the InChIKey of [3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanol?
The InChIKey is OXULHNBEQXQLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c22-12-13-1-2-15-11-20-18(16(15)9-13)14-3-4-19-17(10-14)21-5-7-23-8-6-21/h1-4,9-10,22H,5-8,11-12H2.
What are the key properties of [3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanol?
[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanol has a molecular weight of 309.37 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanol is sourced from PubChem (CID 158695124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).