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

C65H61N15O6 — CID 158237842

IUPACbis(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
SMILESCOc1nccnc1-c1ccc2c(c1)C(c1ccnc(N3CCOCC3)c1)=NC2.COc1nccnc1-c1ccc2c(c1)C(c1ccnc(N3CCOCC3)c1)=NC2.O=c1[nH]ccnc1-c1ccc2c(c1)C(c1ccnc(N3CCOCC3)c1)=NC2
InChIInChI=1S/2C22H21N5O2.C21H19N5O2/c2*1-28-22-21(24-6-7-25-22)15-2-3-17-14-26-20(18(17)12-15)16-4-5-23-19(13-16)27-8-10-29-11-9-27;27-21-20(23-5-6-24-21)14-1-2-16-13-25-19(17(16)11-14)15-3-4-22-18(12-15)26-7-9-28-10-8-26/h2*2-7,12-13H,8-11,14H2,1H3;1-6,11-12H,7-10,13H2,(H,24,27)
InChIKeyGFEMFXOHBFUETN-UHFFFAOYSA-N
MW1148.30 g/mol
LogP7.49
Rot. Bonds11

About 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

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 (PubChem CID 158237842) has the molecular formula C65H61N15O6 and a molecular weight of 1148.30 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namebis(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
PubChem CID158237842
Molecular FormulaC65H61N15O6
Molecular Weight1148.30 g/mol
Exact Mass1147.49
IUPAC Namebis(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
SMILESCOc1nccnc1-c1ccc2c(c1)C(c1ccnc(N3CCOCC3)c1)=NC2.COc1nccnc1-c1ccc2c(c1)C(c1ccnc(N3CCOCC3)c1)=NC2.O=c1[nH]ccnc1-c1ccc2c(c1)C(c1ccnc(N3CCOCC3)c1)=NC2
InChIInChI=1S/2C22H21N5O2.C21H19N5O2/c2*1-28-22-21(24-6-7-25-22)15-2-3-17-14-26-20(18(17)12-15)16-4-5-23-19(13-16)27-8-10-29-11-9-27;27-21-20(23-5-6-24-21)14-1-2-16-13-25-19(17(16)11-14)15-3-4-22-18(12-15)26-7-9-28-10-8-26/h2*2-7,12-13H,8-11,14H2,1H3;1-6,11-12H,7-10,13H2,(H,24,27)
InChIKeyGFEMFXOHBFUETN-UHFFFAOYSA-N
XLogP7.49
TPSA228.93 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds11
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001148.30
LogP ≤ 57.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

Analyze 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 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-[3-(2-piperazin-1-yl-4-pyridinyl)-1H-isoindol-5-yl]-1H-pyridin-2-one
CID 159102861
4-[4-(4-ethoxy-1H-pyrrolo[3,4-c]pyridin-3-yl)-2-pyridinyl]morpholine
CID 66826994
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-(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-[4-(2-methoxyphenyl)-2-pyridinyl]morpholine
CID 134375667
4-[3-[4-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperazin-1-yl]propyl]morpholine
CID 157491720
4-[4-[3-(1-methylimidazol-4-yl)-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-8-yl]-2-pyridinyl]morpholine
CID 123986065
3-[2-(azetidin-1-yl)-4-pyridinyl]-5-cyclopropyloxy-1H-isoindole
CID 159523081

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1nccnc1-c1ccc2c(c1)C(c1ccnc(N3CCOCC3)c1)=NC2.COc1nccnc1-c1ccc2c(c1)C(c1ccnc(N3CCOCC3)c1)=NC2.O=c1[nH]ccnc1-c1ccc2c(c1)C(c1ccnc(N3CCOCC3)c1)=NC2.
What is the InChIKey of 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?
The InChIKey is GFEMFXOHBFUETN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H21N5O2.C21H19N5O2/c2*1-28-22-21(24-6-7-25-22)15-2-3-17-14-26-20(18(17)12-15)16-4-5-23-19(13-16)27-8-10-29-11-9-27;27-21-20(23-5-6-24-21)14-1-2-16-13-25-19(17(16)11-14)15-3-4-22-18(12-15)26-7-9-28-10-8-26/h2*2-7,12-13H,8-11,14H2,1H3;1-6,11-12H,7-10,13H2,(H,24,27).
What are the key properties of 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?
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 has a molecular weight of 1148.30 g/mol, XLogP of 7.49, 11 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158237842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).