4-[4-[6-(2-chloro-4-methoxy-3-pyridinyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[5-fluoro-6-(4-methoxy-3-pyridinyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[6-(1,3-oxazol-2-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[6-(1,3-oxazol-5-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-(6-pyrazin-2-yl-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(6-pyridazin-4-yl-3H-isoindol-1-yl)-2-pyridinyl]morpholine

C149H137ClFN31O11 — CID 159277792

IUPAC4-[4-[6-(2-chloro-4-methoxy-3-pyridinyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[5-fluoro-6-(4-methoxy-3-pyridinyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[6-(1,3-oxazol-2-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[6-(1,3-oxazol-5-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-(6-pyrazin-2-yl-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(6-pyridazin-4-yl-3H-isoindol-1-yl)-2-pyridinyl]morpholine
SMILESCOc1ccnc(Cl)c1-c1ccc2c(c1)C(c1ccnc(N3CCOCC3)c1)=NC2.COc1ccncc1-c1cc2c(cc1F)CN=C2c1ccnc(N2CCOCC2)c1.Cn1cc(-c2ccc3c(c2)C(c2ccnc(N4CCOCC4)c2)=NC3)cn1.c1cc(-c2ccc3c(c2)C(c2ccnc(N4CCOCC4)c2)=NC3)cnn1.c1cc(C2=NCc3ccc(-c4cnco4)cc32)cc(N2CCOCC2)n1.c1cc(C2=NCc3ccc(-c4ncco4)cc32)cc(N2CCOCC2)n1.c1cnc(-c2ccc3c(c2)C(c2ccnc(N4CCOCC4)c2)=NC3)cn1
InChIInChI=1S/C23H21ClN4O2.C23H21FN4O2.C21H21N5O.2C21H19N5O.2C20H18N4O2/c1-29-19-5-7-26-23(24)21(19)15-2-3-17-14-27-22(18(17)12-15)16-4-6-25-20(13-16)28-8-10-30-11-9-28;1-29-21-3-4-25-14-19(21)18-12-17-16(10-20(18)24)13-27-23(17)15-2-5-26-22(11-15)28-6-8-30-9-7-28;1-25-14-18(13-24-25)15-2-3-17-12-23-21(19(17)10-15)16-4-5-22-20(11-16)26-6-8-27-9-7-26;1-2-18-13-23-21(19(18)11-15(1)17-4-6-24-25-14-17)16-3-5-22-20(12-16)26-7-9-27-10-8-26;1-2-17-13-25-21(18(17)11-15(1)19-14-22-5-6-23-19)16-3-4-24-20(12-16)26-7-9-27-10-8-26;1-2-16-13-23-19(17(16)11-15(1)20-22-5-8-26-20)14-3-4-21-18(12-14)24-6-9-25-10-7-24;1-2-16-11-23-20(17(16)9-14(1)18-12-21-13-26-18)15-3-4-22-19(10-15)24-5-7-25-8-6-24/h2-7,12-13H,8-11,14H2,1H3;2-5,10-12,14H,6-9,13H2,1H3;2-5,10-11,13-14H,6-9,12H2,1H3;2*1-6,11-12,14H,7-10,13H2;1-5,8,11-12H,6-7,9-10,13H2;1-4,9-10,12-13H,5-8,11H2
InChIKeyKYNKTJSFKHRUFU-UHFFFAOYSA-N
MW2592.39 g/mol
LogP21.44
Rot. Bonds23

About 4-[4-[6-(2-chloro-4-methoxy-3-pyridinyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[5-fluoro-6-(4-methoxy-3-pyridinyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[6-(1,3-oxazol-2-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[6-(1,3-oxazol-5-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-(6-pyrazin-2-yl-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(6-pyridazin-4-yl-3H-isoindol-1-yl)-2-pyridinyl]morpholine

4-[4-[6-(2-chloro-4-methoxy-3-pyridinyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[5-fluoro-6-(4-methoxy-3-pyridinyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[6-(1,3-oxazol-2-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[6-(1,3-oxazol-5-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-(6-pyrazin-2-yl-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(6-pyridazin-4-yl-3H-isoindol-1-yl)-2-pyridinyl]morpholine (PubChem CID 159277792) has the molecular formula C149H137ClFN31O11 and a molecular weight of 2592.39 g/mol. Its IUPAC name is 4-[4-[6-(2-chloro-4-methoxy-3-pyridinyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[5-fluoro-6-(4-methoxy-3-pyridinyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[6-(1,3-oxazol-2-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[6-(1,3-oxazol-5-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-(6-pyrazin-2-yl-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(6-pyridazin-4-yl-3H-isoindol-1-yl)-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[4-[6-(2-chloro-4-methoxy-3-pyridinyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[5-fluoro-6-(4-methoxy-3-pyridinyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[6-(1,3-oxazol-2-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[6-(1,3-oxazol-5-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-(6-pyrazin-2-yl-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(6-pyridazin-4-yl-3H-isoindol-1-yl)-2-pyridinyl]morpholine
PubChem CID159277792
Molecular FormulaC149H137ClFN31O11
Molecular Weight2592.39 g/mol
Exact Mass2590.08
IUPAC Name4-[4-[6-(2-chloro-4-methoxy-3-pyridinyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[5-fluoro-6-(4-methoxy-3-pyridinyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[6-(1,3-oxazol-2-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[6-(1,3-oxazol-5-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-(6-pyrazin-2-yl-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(6-pyridazin-4-yl-3H-isoindol-1-yl)-2-pyridinyl]morpholine
SMILESCOc1ccnc(Cl)c1-c1ccc2c(c1)C(c1ccnc(N3CCOCC3)c1)=NC2.COc1ccncc1-c1cc2c(cc1F)CN=C2c1ccnc(N2CCOCC2)c1.Cn1cc(-c2ccc3c(c2)C(c2ccnc(N4CCOCC4)c2)=NC3)cn1.c1cc(-c2ccc3c(c2)C(c2ccnc(N4CCOCC4)c2)=NC3)cnn1.c1cc(C2=NCc3ccc(-c4cnco4)cc32)cc(N2CCOCC2)n1.c1cc(C2=NCc3ccc(-c4ncco4)cc32)cc(N2CCOCC2)n1.c1cnc(-c2ccc3c(c2)C(c2ccnc(N4CCOCC4)c2)=NC3)cn1
InChIInChI=1S/C23H21ClN4O2.C23H21FN4O2.C21H21N5O.2C21H19N5O.2C20H18N4O2/c1-29-19-5-7-26-23(24)21(19)15-2-3-17-14-27-22(18(17)12-15)16-4-6-25-20(13-16)28-8-10-30-11-9-28;1-29-21-3-4-25-14-19(21)18-12-17-16(10-20(18)24)13-27-23(17)15-2-5-26-22(11-15)28-6-8-30-9-7-28;1-25-14-18(13-24-25)15-2-3-17-12-23-21(19(17)10-15)16-4-5-22-20(11-16)26-6-8-27-9-7-26;1-2-18-13-23-21(19(18)11-15(1)17-4-6-24-25-14-17)16-3-5-22-20(12-16)26-7-9-27-10-8-26;1-2-17-13-25-21(18(17)11-15(1)19-14-22-5-6-23-19)16-3-4-24-20(12-16)26-7-9-27-10-8-26;1-2-16-13-23-19(17(16)11-15(1)20-22-5-8-26-20)14-3-4-21-18(12-14)24-6-9-25-10-7-24;1-2-16-11-23-20(17(16)9-14(1)18-12-21-13-26-18)15-3-4-22-19(10-15)24-5-7-25-8-6-24/h2-7,12-13H,8-11,14H2,1H3;2-5,10-12,14H,6-9,13H2,1H3;2-5,10-11,13-14H,6-9,12H2,1H3;2*1-6,11-12,14H,7-10,13H2;1-5,8,11-12H,6-7,9-10,13H2;1-4,9-10,12-13H,5-8,11H2
InChIKeyKYNKTJSFKHRUFU-UHFFFAOYSA-N
XLogP21.44
TPSA429.72 Ų
H-Bond Donors
H-Bond Acceptors42
Rotatable Bonds23
Heavy Atoms193
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002592.39
LogP ≤ 521.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

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

Analyze 4-[4-[6-(2-chloro-4-methoxy-3-pyridinyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[5-fluoro-6-(4-methoxy-3-pyridinyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[6-(1,3-oxazol-2-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[6-(1,3-oxazol-5-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-(6-pyrazin-2-yl-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(6-pyridazin-4-yl-3H-isoindol-1-yl)-2-pyridinyl]morpholine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-(2-chloro-4-methoxy-3-pyridinyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[5-fluoro-6-(4-methoxy-3-pyridinyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[6-(1,3-oxazol-2-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[6-(1,3-oxazol-5-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-(6-pyrazin-2-yl-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(6-pyridazin-4-yl-3H-isoindol-1-yl)-2-pyridinyl]morpholine?
The IUPAC name of 4-[4-[6-(2-chloro-4-methoxy-3-pyridinyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[5-fluoro-6-(4-methoxy-3-pyridinyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[6-(1,3-oxazol-2-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[6-(1,3-oxazol-5-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-(6-pyrazin-2-yl-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(6-pyridazin-4-yl-3H-isoindol-1-yl)-2-pyridinyl]morpholine (CID 159277792) is 4-[4-[6-(2-chloro-4-methoxy-3-pyridinyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[5-fluoro-6-(4-methoxy-3-pyridinyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[6-(1,3-oxazol-2-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[6-(1,3-oxazol-5-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-(6-pyrazin-2-yl-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(6-pyridazin-4-yl-3H-isoindol-1-yl)-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[4-[6-(2-chloro-4-methoxy-3-pyridinyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[5-fluoro-6-(4-methoxy-3-pyridinyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[6-(1,3-oxazol-2-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[6-(1,3-oxazol-5-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-(6-pyrazin-2-yl-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(6-pyridazin-4-yl-3H-isoindol-1-yl)-2-pyridinyl]morpholine?
The canonical SMILES for 4-[4-[6-(2-chloro-4-methoxy-3-pyridinyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[5-fluoro-6-(4-methoxy-3-pyridinyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[6-(1,3-oxazol-2-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[6-(1,3-oxazol-5-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-(6-pyrazin-2-yl-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(6-pyridazin-4-yl-3H-isoindol-1-yl)-2-pyridinyl]morpholine is COc1ccnc(Cl)c1-c1ccc2c(c1)C(c1ccnc(N3CCOCC3)c1)=NC2.COc1ccncc1-c1cc2c(cc1F)CN=C2c1ccnc(N2CCOCC2)c1.Cn1cc(-c2ccc3c(c2)C(c2ccnc(N4CCOCC4)c2)=NC3)cn1.c1cc(-c2ccc3c(c2)C(c2ccnc(N4CCOCC4)c2)=NC3)cnn1.c1cc(C2=NCc3ccc(-c4cnco4)cc32)cc(N2CCOCC2)n1.c1cc(C2=NCc3ccc(-c4ncco4)cc32)cc(N2CCOCC2)n1.c1cnc(-c2ccc3c(c2)C(c2ccnc(N4CCOCC4)c2)=NC3)cn1.
What is the InChIKey of 4-[4-[6-(2-chloro-4-methoxy-3-pyridinyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[5-fluoro-6-(4-methoxy-3-pyridinyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[6-(1,3-oxazol-2-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[6-(1,3-oxazol-5-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-(6-pyrazin-2-yl-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(6-pyridazin-4-yl-3H-isoindol-1-yl)-2-pyridinyl]morpholine?
The InChIKey is KYNKTJSFKHRUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O2.C23H21FN4O2.C21H21N5O.2C21H19N5O.2C20H18N4O2/c1-29-19-5-7-26-23(24)21(19)15-2-3-17-14-27-22(18(17)12-15)16-4-6-25-20(13-16)28-8-10-30-11-9-28;1-29-21-3-4-25-14-19(21)18-12-17-16(10-20(18)24)13-27-23(17)15-2-5-26-22(11-15)28-6-8-30-9-7-28;1-25-14-18(13-24-25)15-2-3-17-12-23-21(19(17)10-15)16-4-5-22-20(11-16)26-6-8-27-9-7-26;1-2-18-13-23-21(19(18)11-15(1)17-4-6-24-25-14-17)16-3-5-22-20(12-16)26-7-9-27-10-8-26;1-2-17-13-25-21(18(17)11-15(1)19-14-22-5-6-23-19)16-3-4-24-20(12-16)26-7-9-27-10-8-26;1-2-16-13-23-19(17(16)11-15(1)20-22-5-8-26-20)14-3-4-21-18(12-14)24-6-9-25-10-7-24;1-2-16-11-23-20(17(16)9-14(1)18-12-21-13-26-18)15-3-4-22-19(10-15)24-5-7-25-8-6-24/h2-7,12-13H,8-11,14H2,1H3;2-5,10-12,14H,6-9,13H2,1H3;2-5,10-11,13-14H,6-9,12H2,1H3;2*1-6,11-12,14H,7-10,13H2;1-5,8,11-12H,6-7,9-10,13H2;1-4,9-10,12-13H,5-8,11H2.
What are the key properties of 4-[4-[6-(2-chloro-4-methoxy-3-pyridinyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[5-fluoro-6-(4-methoxy-3-pyridinyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[6-(1,3-oxazol-2-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[6-(1,3-oxazol-5-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-(6-pyrazin-2-yl-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(6-pyridazin-4-yl-3H-isoindol-1-yl)-2-pyridinyl]morpholine?
4-[4-[6-(2-chloro-4-methoxy-3-pyridinyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[5-fluoro-6-(4-methoxy-3-pyridinyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[6-(1,3-oxazol-2-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[6-(1,3-oxazol-5-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-(6-pyrazin-2-yl-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(6-pyridazin-4-yl-3H-isoindol-1-yl)-2-pyridinyl]morpholine has a molecular weight of 2592.39 g/mol, XLogP of 21.44, 23 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-(2-chloro-4-methoxy-3-pyridinyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[5-fluoro-6-(4-methoxy-3-pyridinyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[6-(1,3-oxazol-2-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[6-(1,3-oxazol-5-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-(6-pyrazin-2-yl-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(6-pyridazin-4-yl-3H-isoindol-1-yl)-2-pyridinyl]morpholine is sourced from PubChem (CID 159277792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).