(3R)-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine;(3R)-4-[4-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine;(3R)-4-[6-(3,5-dimethyltriazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]morpholine

C107H115N31O6 — CID 158800261

About (3R)-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine;(3R)-4-[4-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine;(3R)-4-[6-(3,5-dimethyltriazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]morpholine

(3R)-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine;(3R)-4-[4-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine;(3R)-4-[6-(3,5-dimethyltriazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]morpholine (PubChem CID 158800261) has the molecular formula C107H115N31O6 and a molecular weight of 1931.31 g/mol. Its IUPAC name is (3R)-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine;(3R)-4-[4-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine;(3R)-4-[6-(3,5-dimethyltriazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]morpholine.

Molecular Properties

• Compound Name: (3R)-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine;(3R)-4-[4-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine;(3R)-4-[6-(3,5-dimethyltriazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]morpholine
• PubChem CID: 158800261
• Molecular Formula: C107H115N31O6
• Molecular Weight: 1931.31 g/mol
• Exact Mass: 1929.96
• IUPAC Name: (3R)-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine;(3R)-4-[4-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine;(3R)-4-[6-(3,5-dimethyltriazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]morpholine
• SMILES: C[C@@H]1COCCN1c1cc(-c2ccnn2C)cc(-c2ccnc3[nH]ccc23)n1.Cc1cnn(C)c1-c1cc(-c2ccnc3[nH]ccc23)nc(N2CCOC[C@H]2C)c1.Cc1n[nH]c(C)c1-c1cc(-c2ccnc3[nH]ccc23)nc(N2CCOC[C@H]2C)c1.Cc1nnn(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2ccnc3[nH]ccc23)n1.Cc1noc(C)c1-c1cc(-c2ccnc3[nH]ccc23)nc(N2CCOC[C@H]2C)c1
• InChI: InChI=1S/2C22H24N6O.C22H23N5O2.C21H22N6O.C20H22N8O/c1-14-12-25-27(3)21(14)16-10-19(17-4-6-23-22-18(17)5-7-24-22)26-20(11-16)28-8-9-29-13-15(28)2;1-13-12-29-9-8-28(13)20-11-16(21-14(2)26-27-15(21)3)10-19(25-20)17-4-6-23-22-18(17)5-7-24-22;1-13-12-28-9-8-27(13)20-11-16(21-14(2)26-29-15(21)3)10-19(25-20)17-4-6-23-22-18(17)5-7-24-22;1-14-13-28-10-9-27(14)20-12-15(19-5-8-24-26(19)2)11-18(25-20)16-3-6-22-21-17(16)4-7-23-21;1-12-11-29-9-8-28(12)17-10-16(18-13(2)25-26-27(18)3)23-20(24-17)15-5-7-22-19-14(15)4-6-21-19/h4-7,10-12,15H,8-9,13H2,1-3H3,(H,23,24);4-7,10-11,13H,8-9,12H2,1-3H3,(H,23,24)(H,26,27);4-7,10-11,13H,8-9,12H2,1-3H3,(H,23,24);3-8,11-12,14H,9-10,13H2,1-2H3,(H,22,23);4-7,10,12H,8-9,11H2,1-3H3,(H,21,22)/t15-;2*13-;14-;12-/m11111/s1
• InChIKey: ITJWLZIFBOAPAV-ISQAVDMVSA-N
• XLogP: 17.14
• TPSA: 404.15 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 31
• Rotatable Bonds: 15
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1931.31
LogP ≤ 5	17.14
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine;(3R)-4-[4-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine;(3R)-4-[6-(3,5-dimethyltriazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]morpholine?

The IUPAC name of (3R)-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine;(3R)-4-[4-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine;(3R)-4-[6-(3,5-dimethyltriazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]morpholine (CID 158800261) is (3R)-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine;(3R)-4-[4-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine;(3R)-4-[6-(3,5-dimethyltriazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]morpholine.

What is the SMILES notation for (3R)-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine;(3R)-4-[4-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine;(3R)-4-[6-(3,5-dimethyltriazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]morpholine?

The canonical SMILES for (3R)-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine;(3R)-4-[4-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine;(3R)-4-[6-(3,5-dimethyltriazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]morpholine is C[C@@H]1COCCN1c1cc(-c2ccnn2C)cc(-c2ccnc3[nH]ccc23)n1.Cc1cnn(C)c1-c1cc(-c2ccnc3[nH]ccc23)nc(N2CCOC[C@H]2C)c1.Cc1n[nH]c(C)c1-c1cc(-c2ccnc3[nH]ccc23)nc(N2CCOC[C@H]2C)c1.Cc1nnn(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2ccnc3[nH]ccc23)n1.Cc1noc(C)c1-c1cc(-c2ccnc3[nH]ccc23)nc(N2CCOC[C@H]2C)c1.

What is the InChIKey of (3R)-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine;(3R)-4-[4-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine;(3R)-4-[6-(3,5-dimethyltriazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]morpholine?

The InChIKey is ITJWLZIFBOAPAV-ISQAVDMVSA-N. The full InChI is InChI=1S/2C22H24N6O.C22H23N5O2.C21H22N6O.C20H22N8O/c1-14-12-25-27(3)21(14)16-10-19(17-4-6-23-22-18(17)5-7-24-22)26-20(11-16)28-8-9-29-13-15(28)2;1-13-12-29-9-8-28(13)20-11-16(21-14(2)26-27-15(21)3)10-19(25-20)17-4-6-23-22-18(17)5-7-24-22;1-13-12-28-9-8-27(13)20-11-16(21-14(2)26-29-15(21)3)10-19(25-20)17-4-6-23-22-18(17)5-7-24-22;1-14-13-28-10-9-27(14)20-12-15(19-5-8-24-26(19)2)11-18(25-20)16-3-6-22-21-17(16)4-7-23-21;1-12-11-29-9-8-28(12)17-10-16(18-13(2)25-26-27(18)3)23-20(24-17)15-5-7-22-19-14(15)4-6-21-19/h4-7,10-12,15H,8-9,13H2,1-3H3,(H,23,24);4-7,10-11,13H,8-9,12H2,1-3H3,(H,23,24)(H,26,27);4-7,10-11,13H,8-9,12H2,1-3H3,(H,23,24);3-8,11-12,14H,9-10,13H2,1-2H3,(H,22,23);4-7,10,12H,8-9,11H2,1-3H3,(H,21,22)/t15-;2*13-;14-;12-/m11111/s1.

What are the key properties of (3R)-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine;(3R)-4-[4-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine;(3R)-4-[6-(3,5-dimethyltriazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]morpholine?

(3R)-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine;(3R)-4-[4-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine;(3R)-4-[6-(3,5-dimethyltriazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]morpholine has a molecular weight of 1931.31 g/mol, XLogP of 17.14, 15 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine;(3R)-4-[4-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine;(3R)-4-[6-(3,5-dimethyltriazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]morpholine is sourced from PubChem (CID 158800261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).