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

C105H111F3N34O7 — CID 160948964

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

(3R)-4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(1,3-dimethylpyrazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(1,5-dimethylpyrazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;[1-methyl-4-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]pyrazol-5-yl]methanol;(3R)-3-methyl-4-[6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine (PubChem CID 160948964) has the molecular formula C105H111F3N34O7 and a molecular weight of 2018.27 g/mol. Its IUPAC name is (3R)-4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(1,3-dimethylpyrazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(1,5-dimethylpyrazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;[1-methyl-4-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]pyrazol-5-yl]methanol;(3R)-3-methyl-4-[6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine.

Molecular Properties

• Compound Name: (3R)-4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(1,3-dimethylpyrazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(1,5-dimethylpyrazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;[1-methyl-4-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]pyrazol-5-yl]methanol;(3R)-3-methyl-4-[6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine
• PubChem CID: 160948964
• Molecular Formula: C105H111F3N34O7
• Molecular Weight: 2018.27 g/mol
• Exact Mass: 2016.93
• IUPAC Name: (3R)-4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(1,3-dimethylpyrazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(1,5-dimethylpyrazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;[1-methyl-4-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]pyrazol-5-yl]methanol;(3R)-3-methyl-4-[6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine
• SMILES: C[C@@H]1COCCN1c1cc(-c2cn(C)nc2C(F)(F)F)nc(-c2ccnc3[nH]ccc23)n1.C[C@@H]1COCCN1c1cc(-c2cnn(C)c2CO)nc(-c2ccnc3[nH]ccc23)n1.Cc1c(-c2cc(N3CCOC[C@H]3C)nc(-c3ccnc4[nH]ccc34)n2)cnn1C.Cc1nn(C)cc1-c1cc(N2CCOC[C@H]2C)nc(-c2ccnc3[nH]ccc23)n1.Cc1noc(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2ccnc3[nH]ccc23)n1
• InChI: InChI=1S/C21H20F3N7O.C21H23N7O2.2C21H23N7O.C21H22N6O2/c1-12-11-32-8-7-31(12)17-9-16(15-10-30(2)29-18(15)21(22,23)24)27-20(28-17)14-4-6-26-19-13(14)3-5-25-19;1-13-12-30-8-7-28(13)19-9-17(16-10-24-27(2)18(16)11-29)25-21(26-19)15-4-6-23-20-14(15)3-5-22-20;1-13-12-29-9-8-28(13)19-10-18(17-11-27(3)26-14(17)2)24-21(25-19)16-5-7-23-20-15(16)4-6-22-20;1-13-12-29-9-8-28(13)19-10-18(17-11-24-27(3)14(17)2)25-21(26-19)16-5-7-23-20-15(16)4-6-22-20;1-12-11-28-9-8-27(12)18-10-17(19-13(2)26-29-14(19)3)24-21(25-18)16-5-7-23-20-15(16)4-6-22-20/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,25,26);3-6,9-10,13,29H,7-8,11-12H2,1-2H3,(H,22,23);2*4-7,10-11,13H,8-9,12H2,1-3H3,(H,22,23);4-7,10,12H,8-9,11H2,1-3H3,(H,22,23)/t12-;3*13-;12-/m11111/s1
• InChIKey: SVMPVZAWZQKIGX-NGDALMITSA-N
• XLogP: 15.23
• TPSA: 452.19 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 36
• Rotatable Bonds: 16
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2018.27
LogP ≤ 5	15.23
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

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

The IUPAC name of (3R)-4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(1,3-dimethylpyrazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(1,5-dimethylpyrazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;[1-methyl-4-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]pyrazol-5-yl]methanol;(3R)-3-methyl-4-[6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine (CID 160948964) is (3R)-4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(1,3-dimethylpyrazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(1,5-dimethylpyrazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;[1-methyl-4-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]pyrazol-5-yl]methanol;(3R)-3-methyl-4-[6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine.

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

The canonical SMILES for (3R)-4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(1,3-dimethylpyrazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(1,5-dimethylpyrazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;[1-methyl-4-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]pyrazol-5-yl]methanol;(3R)-3-methyl-4-[6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine is C[C@@H]1COCCN1c1cc(-c2cn(C)nc2C(F)(F)F)nc(-c2ccnc3[nH]ccc23)n1.C[C@@H]1COCCN1c1cc(-c2cnn(C)c2CO)nc(-c2ccnc3[nH]ccc23)n1.Cc1c(-c2cc(N3CCOC[C@H]3C)nc(-c3ccnc4[nH]ccc34)n2)cnn1C.Cc1nn(C)cc1-c1cc(N2CCOC[C@H]2C)nc(-c2ccnc3[nH]ccc23)n1.Cc1noc(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2ccnc3[nH]ccc23)n1.

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

The InChIKey is SVMPVZAWZQKIGX-NGDALMITSA-N. The full InChI is InChI=1S/C21H20F3N7O.C21H23N7O2.2C21H23N7O.C21H22N6O2/c1-12-11-32-8-7-31(12)17-9-16(15-10-30(2)29-18(15)21(22,23)24)27-20(28-17)14-4-6-26-19-13(14)3-5-25-19;1-13-12-30-8-7-28(13)19-9-17(16-10-24-27(2)18(16)11-29)25-21(26-19)15-4-6-23-20-14(15)3-5-22-20;1-13-12-29-9-8-28(13)19-10-18(17-11-27(3)26-14(17)2)24-21(25-19)16-5-7-23-20-15(16)4-6-22-20;1-13-12-29-9-8-28(13)19-10-18(17-11-24-27(3)14(17)2)25-21(26-19)16-5-7-23-20-15(16)4-6-22-20;1-12-11-28-9-8-27(12)18-10-17(19-13(2)26-29-14(19)3)24-21(25-18)16-5-7-23-20-15(16)4-6-22-20/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,25,26);3-6,9-10,13,29H,7-8,11-12H2,1-2H3,(H,22,23);2*4-7,10-11,13H,8-9,12H2,1-3H3,(H,22,23);4-7,10,12H,8-9,11H2,1-3H3,(H,22,23)/t12-;3*13-;12-/m11111/s1.

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

(3R)-4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(1,3-dimethylpyrazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(1,5-dimethylpyrazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;[1-methyl-4-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]pyrazol-5-yl]methanol;(3R)-3-methyl-4-[6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine has a molecular weight of 2018.27 g/mol, XLogP of 15.23, 16 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(1,3-dimethylpyrazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(1,5-dimethylpyrazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;[1-methyl-4-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]pyrazol-5-yl]methanol;(3R)-3-methyl-4-[6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine is sourced from PubChem (CID 160948964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).