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

C44H40N8O2 — CID 158202829

IUPAC4-[4-(6-pyridin-4-yl-3H-isoindol-1-yl)-2-pyridinyl]morpholine
SMILESc1cc(-c2ccc3c(c2)C(c2ccnc(N4CCOCC4)c2)=NC3)ccn1.c1cc(-c2ccc3c(c2)C(c2ccnc(N4CCOCC4)c2)=NC3)ccn1
InChIInChI=1S/2C22H20N4O/c2*1-2-19-15-25-22(20(19)13-17(1)16-3-6-23-7-4-16)18-5-8-24-21(14-18)26-9-11-27-12-10-26/h2*1-8,13-14H,9-12,15H2
InChIKeyGBDJLZZQJRWLHH-UHFFFAOYSA-N
MW712.86 g/mol
LogP6.66
Rot. Bonds6

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

4-[4-(6-pyridin-4-yl-3H-isoindol-1-yl)-2-pyridinyl]morpholine (PubChem CID 158202829) has the molecular formula C44H40N8O2 and a molecular weight of 712.86 g/mol. Its IUPAC name is 4-[4-(6-pyridin-4-yl-3H-isoindol-1-yl)-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[4-(6-pyridin-4-yl-3H-isoindol-1-yl)-2-pyridinyl]morpholine
PubChem CID158202829
Molecular FormulaC44H40N8O2
Molecular Weight712.86 g/mol
Exact Mass712.33
IUPAC Name4-[4-(6-pyridin-4-yl-3H-isoindol-1-yl)-2-pyridinyl]morpholine
SMILESc1cc(-c2ccc3c(c2)C(c2ccnc(N4CCOCC4)c2)=NC3)ccn1.c1cc(-c2ccc3c(c2)C(c2ccnc(N4CCOCC4)c2)=NC3)ccn1
InChIInChI=1S/2C22H20N4O/c2*1-2-19-15-25-22(20(19)13-17(1)16-3-6-23-7-4-16)18-5-8-24-21(14-18)26-9-11-27-12-10-26/h2*1-8,13-14H,9-12,15H2
InChIKeyGBDJLZZQJRWLHH-UHFFFAOYSA-N
XLogP6.66
TPSA101.22 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.86
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

4-(5-(Quinuclidin-3-yl)pyridin-2-yl)morpholine
CID 45102789
4-Morpholin-4-yl-benzo[f]isoquinoline
CID 10825519
1,3,5-Tris(di-2-pyridylaminomethyl)benzene
CID 5242730
4-[4-(3,4-Dimethylphenyl)-6-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]morpholine
CID 57761206
4-[6-Naphthalen-2-yl-2-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 57761713
4-(3-Fluorophenyl)-1-morpholin-4-yl-6-pyridin-2-ylisoquinoline-3-carbonitrile
CID 58767482
4-[5-[[4-(2-Phenylethyl)piperazin-1-yl]methyl]-2-pyridinyl]morpholine;1-(2-phenylethyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazine
CID 69120200
4-[2-[6-[4-(4,4-dimethylpiperidin-1-yl)-5-ethyl-2,6-dimethyl-3-pyridinyl]-3,4-dihydro-1H-isoquinolin-2-yl]-5-fluoro-4-pyridinyl]morpholine
CID 135212098
4-[7-[2-(4-Fluoro-3-methylphenyl)-3-pyridinyl]isoquinolin-1-yl]morpholine
CID 139495101
2-Tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;3-tert-butyl-2-methylpyridine;4-(5-tert-butyl-2-pyridinyl)morpholine;5-tert-butyl-2-(trifluoromethyl)pyridine
CID 157060188
4-[4-[6-(5-fluoropyrimidin-2-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine
CID 157270585
3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-1H-isoindole;4-(3H-isoindol-1-yl)-N,N-dimethylpyridin-2-amine;4-(3H-isoindol-1-yl)-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]pyridin-2-amine;4-[4-(3H-isoindol-1-yl)-2-pyridinyl]-2,6-dimethylmorpholine;4-[1-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperidin-4-yl]morpholine;3-[2-(4-pyrrolidin-1-ylpiperidin-1-yl)-4-pyridinyl]-1H-isoindole
CID 160447791

Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-pyridin-4-yl-3H-isoindol-1-yl)-2-pyridinyl]morpholine?
The IUPAC name of 4-[4-(6-pyridin-4-yl-3H-isoindol-1-yl)-2-pyridinyl]morpholine (CID 158202829) is 4-[4-(6-pyridin-4-yl-3H-isoindol-1-yl)-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[4-(6-pyridin-4-yl-3H-isoindol-1-yl)-2-pyridinyl]morpholine?
The canonical SMILES for 4-[4-(6-pyridin-4-yl-3H-isoindol-1-yl)-2-pyridinyl]morpholine is c1cc(-c2ccc3c(c2)C(c2ccnc(N4CCOCC4)c2)=NC3)ccn1.c1cc(-c2ccc3c(c2)C(c2ccnc(N4CCOCC4)c2)=NC3)ccn1.
What is the InChIKey of 4-[4-(6-pyridin-4-yl-3H-isoindol-1-yl)-2-pyridinyl]morpholine?
The InChIKey is GBDJLZZQJRWLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H20N4O/c2*1-2-19-15-25-22(20(19)13-17(1)16-3-6-23-7-4-16)18-5-8-24-21(14-18)26-9-11-27-12-10-26/h2*1-8,13-14H,9-12,15H2.
What are the key properties of 4-[4-(6-pyridin-4-yl-3H-isoindol-1-yl)-2-pyridinyl]morpholine?
4-[4-(6-pyridin-4-yl-3H-isoindol-1-yl)-2-pyridinyl]morpholine has a molecular weight of 712.86 g/mol, XLogP of 6.66, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-pyridin-4-yl-3H-isoindol-1-yl)-2-pyridinyl]morpholine is sourced from PubChem (CID 158202829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).