4-[4-[6-(2-fluoro-4-phenylmethoxy-3-pyridinyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine

C58H50F2N8O4 — CID 158201407

IUPAC4-[4-[6-(2-fluoro-4-phenylmethoxy-3-pyridinyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine
SMILESFc1nccc(OCc2ccccc2)c1-c1ccc2c(c1)C(c1ccnc(N3CCOCC3)c1)=NC2.Fc1nccc(OCc2ccccc2)c1-c1ccc2c(c1)C(c1ccnc(N3CCOCC3)c1)=NC2
InChIInChI=1S/2C29H25FN4O2/c2*30-29-27(25(9-11-32-29)36-19-20-4-2-1-3-5-20)21-6-7-23-18-33-28(24(23)16-21)22-8-10-31-26(17-22)34-12-14-35-15-13-34/h2*1-11,16-17H,12-15,18-19H2
InChIKeyGAZCMMOEDYHBHF-UHFFFAOYSA-N
MW961.09 g/mol
LogP10.10
Rot. Bonds12

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

4-[4-[6-(2-fluoro-4-phenylmethoxy-3-pyridinyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine (PubChem CID 158201407) has the molecular formula C58H50F2N8O4 and a molecular weight of 961.09 g/mol. Its IUPAC name is 4-[4-[6-(2-fluoro-4-phenylmethoxy-3-pyridinyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[4-[6-(2-fluoro-4-phenylmethoxy-3-pyridinyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine
PubChem CID158201407
Molecular FormulaC58H50F2N8O4
Molecular Weight961.09 g/mol
Exact Mass960.39
IUPAC Name4-[4-[6-(2-fluoro-4-phenylmethoxy-3-pyridinyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine
SMILESFc1nccc(OCc2ccccc2)c1-c1ccc2c(c1)C(c1ccnc(N3CCOCC3)c1)=NC2.Fc1nccc(OCc2ccccc2)c1-c1ccc2c(c1)C(c1ccnc(N3CCOCC3)c1)=NC2
InChIInChI=1S/2C29H25FN4O2/c2*30-29-27(25(9-11-32-29)36-19-20-4-2-1-3-5-20)21-6-7-23-18-33-28(24(23)16-21)22-8-10-31-26(17-22)34-12-14-35-15-13-34/h2*1-11,16-17H,12-15,18-19H2
InChIKeyGAZCMMOEDYHBHF-UHFFFAOYSA-N
XLogP10.10
TPSA119.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500961.09
LogP ≤ 510.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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

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Launch Full Analysis

Related Compounds

[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-[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
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
4-[4-(6-cyclopropyl-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]morpholine
CID 157234129
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-[4-(3H-isoindol-1-yl)-2-pyridinyl]morpholin-2-yl]-N,N-dimethylmethanamine
CID 159248411
4-[4-[5-(2-fluoro-4-methoxy-3-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine
CID 90400745
4-[4-(2-methoxyphenyl)-2-pyridinyl]morpholine
CID 134375667
1-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperidin-4-ol
CID 158273269

Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-(2-fluoro-4-phenylmethoxy-3-pyridinyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine?
The IUPAC name of 4-[4-[6-(2-fluoro-4-phenylmethoxy-3-pyridinyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine (CID 158201407) is 4-[4-[6-(2-fluoro-4-phenylmethoxy-3-pyridinyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[4-[6-(2-fluoro-4-phenylmethoxy-3-pyridinyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[4-[6-(2-fluoro-4-phenylmethoxy-3-pyridinyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine is Fc1nccc(OCc2ccccc2)c1-c1ccc2c(c1)C(c1ccnc(N3CCOCC3)c1)=NC2.Fc1nccc(OCc2ccccc2)c1-c1ccc2c(c1)C(c1ccnc(N3CCOCC3)c1)=NC2.
What is the InChIKey of 4-[4-[6-(2-fluoro-4-phenylmethoxy-3-pyridinyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine?
The InChIKey is GAZCMMOEDYHBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H25FN4O2/c2*30-29-27(25(9-11-32-29)36-19-20-4-2-1-3-5-20)21-6-7-23-18-33-28(24(23)16-21)22-8-10-31-26(17-22)34-12-14-35-15-13-34/h2*1-11,16-17H,12-15,18-19H2.
What are the key properties of 4-[4-[6-(2-fluoro-4-phenylmethoxy-3-pyridinyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine?
4-[4-[6-(2-fluoro-4-phenylmethoxy-3-pyridinyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine has a molecular weight of 961.09 g/mol, XLogP of 10.10, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-(2-fluoro-4-phenylmethoxy-3-pyridinyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 158201407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).