(3R)-4-[2-(6-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-6-[3,5-dimethyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-(6-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[2-(1H-indazol-4-yl)-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]morpholine;(3R)-3-methyl-4-[2-(1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]morpholine

C120H143ClN38O6 — CID 167537329

About (3R)-4-[2-(6-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-6-[3,5-dimethyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-(6-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[2-(1H-indazol-4-yl)-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]morpholine;(3R)-3-methyl-4-[2-(1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]morpholine

(3R)-4-[2-(6-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-6-[3,5-dimethyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-(6-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[2-(1H-indazol-4-yl)-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]morpholine;(3R)-3-methyl-4-[2-(1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]morpholine (PubChem CID 167537329) has the molecular formula C120H143ClN38O6 and a molecular weight of 2249.18 g/mol. Its IUPAC name is (3R)-4-[2-(6-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-6-[3,5-dimethyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-(6-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[2-(1H-indazol-4-yl)-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]morpholine;(3R)-3-methyl-4-[2-(1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]morpholine.

Molecular Properties

• Compound Name: (3R)-4-[2-(6-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-6-[3,5-dimethyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-(6-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[2-(1H-indazol-4-yl)-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]morpholine;(3R)-3-methyl-4-[2-(1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]morpholine
• PubChem CID: 167537329
• Molecular Formula: C120H143ClN38O6
• Molecular Weight: 2249.18 g/mol
• Exact Mass: 2247.17
• IUPAC Name: (3R)-4-[2-(6-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-6-[3,5-dimethyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-(6-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[2-(1H-indazol-4-yl)-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]morpholine;(3R)-3-methyl-4-[2-(1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]morpholine
• SMILES: COc1cc(-c2nc(-c3c(C)nn(C4CCN(C)CC4)c3C)cc(N3CCOC[C@H]3C)n2)c2cc[nH]c2n1.Cc1nn(C)c(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2cccc3[nH]ncc23)n1.Cc1nn(C)c(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2ccnc3[nH]ncc23)n1.Cc1nn(C)c(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2cncc3[nH]ccc23)n1.Cc1nn(C2CCN(C)CC2)c(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2cc(Cl)nc3[nH]ccc23)n1
• InChI: InChI=1S/C28H36N8O2.C27H33ClN8O.2C22H25N7O.C21H24N8O/c1-17-16-38-13-12-35(17)24-15-23(26-18(2)33-36(19(26)3)20-7-10-34(4)11-8-20)30-28(31-24)22-14-25(37-5)32-27-21(22)6-9-29-27;1-16-15-37-12-11-35(16)24-14-22(25-17(2)33-36(18(25)3)19-6-9-34(4)10-7-19)30-27(32-24)21-13-23(28)31-26-20(21)5-8-29-26;1-13-12-30-8-7-29(13)20-9-18(21-14(2)27-28(4)15(21)3)25-22(26-20)17-10-23-11-19-16(17)5-6-24-19;1-13-12-30-9-8-29(13)20-10-19(21-14(2)27-28(4)15(21)3)24-22(25-20)16-6-5-7-18-17(16)11-23-26-18;1-12-11-30-8-7-29(12)18-9-17(19-13(2)27-28(4)14(19)3)24-21(25-18)15-5-6-22-20-16(15)10-23-26-20/h6,9,14-15,17,20H,7-8,10-13,16H2,1-5H3,(H,29,32);5,8,13-14,16,19H,6-7,9-12,15H2,1-4H3,(H,29,31);5-6,9-11,13,24H,7-8,12H2,1-4H3;5-7,10-11,13H,8-9,12H2,1-4H3,(H,23,26);5-6,9-10,12H,7-8,11H2,1-4H3,(H,22,23,26)/t17-;16-;2*13-;12-/m11111/s1
• InChIKey: ASLATANPEWHVID-PPDPZCRTSA-N
• XLogP: 17.83
• TPSA: 452.35 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 39
• Rotatable Bonds: 18
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2249.18
LogP ≤ 5	17.83
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[2-(6-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-6-[3,5-dimethyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-(6-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[2-(1H-indazol-4-yl)-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]morpholine;(3R)-3-methyl-4-[2-(1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]morpholine?

The IUPAC name of (3R)-4-[2-(6-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-6-[3,5-dimethyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-(6-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[2-(1H-indazol-4-yl)-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]morpholine;(3R)-3-methyl-4-[2-(1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]morpholine (CID 167537329) is (3R)-4-[2-(6-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-6-[3,5-dimethyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-(6-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[2-(1H-indazol-4-yl)-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]morpholine;(3R)-3-methyl-4-[2-(1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]morpholine.

What is the SMILES notation for (3R)-4-[2-(6-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-6-[3,5-dimethyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-(6-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[2-(1H-indazol-4-yl)-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]morpholine;(3R)-3-methyl-4-[2-(1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]morpholine?

The canonical SMILES for (3R)-4-[2-(6-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-6-[3,5-dimethyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-(6-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[2-(1H-indazol-4-yl)-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]morpholine;(3R)-3-methyl-4-[2-(1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]morpholine is COc1cc(-c2nc(-c3c(C)nn(C4CCN(C)CC4)c3C)cc(N3CCOC[C@H]3C)n2)c2cc[nH]c2n1.Cc1nn(C)c(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2cccc3[nH]ncc23)n1.Cc1nn(C)c(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2ccnc3[nH]ncc23)n1.Cc1nn(C)c(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2cncc3[nH]ccc23)n1.Cc1nn(C2CCN(C)CC2)c(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2cc(Cl)nc3[nH]ccc23)n1.

What is the InChIKey of (3R)-4-[2-(6-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-6-[3,5-dimethyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-(6-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[2-(1H-indazol-4-yl)-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]morpholine;(3R)-3-methyl-4-[2-(1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]morpholine?

The InChIKey is ASLATANPEWHVID-PPDPZCRTSA-N. The full InChI is InChI=1S/C28H36N8O2.C27H33ClN8O.2C22H25N7O.C21H24N8O/c1-17-16-38-13-12-35(17)24-15-23(26-18(2)33-36(19(26)3)20-7-10-34(4)11-8-20)30-28(31-24)22-14-25(37-5)32-27-21(22)6-9-29-27;1-16-15-37-12-11-35(16)24-14-22(25-17(2)33-36(18(25)3)19-6-9-34(4)10-7-19)30-27(32-24)21-13-23(28)31-26-20(21)5-8-29-26;1-13-12-30-8-7-29(13)20-9-18(21-14(2)27-28(4)15(21)3)25-22(26-20)17-10-23-11-19-16(17)5-6-24-19;1-13-12-30-9-8-29(13)20-10-19(21-14(2)27-28(4)15(21)3)24-22(25-20)16-6-5-7-18-17(16)11-23-26-18;1-12-11-30-8-7-29(12)18-9-17(19-13(2)27-28(4)14(19)3)24-21(25-18)15-5-6-22-20-16(15)10-23-26-20/h6,9,14-15,17,20H,7-8,10-13,16H2,1-5H3,(H,29,32);5,8,13-14,16,19H,6-7,9-12,15H2,1-4H3,(H,29,31);5-6,9-11,13,24H,7-8,12H2,1-4H3;5-7,10-11,13H,8-9,12H2,1-4H3,(H,23,26);5-6,9-10,12H,7-8,11H2,1-4H3,(H,22,23,26)/t17-;16-;2*13-;12-/m11111/s1.

What are the key properties of (3R)-4-[2-(6-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-6-[3,5-dimethyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-(6-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[2-(1H-indazol-4-yl)-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]morpholine;(3R)-3-methyl-4-[2-(1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]morpholine?

(3R)-4-[2-(6-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-6-[3,5-dimethyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-(6-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[2-(1H-indazol-4-yl)-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]morpholine;(3R)-3-methyl-4-[2-(1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]morpholine has a molecular weight of 2249.18 g/mol, XLogP of 17.83, 18 rotatable bonds, 5 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-4-[2-(6-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-6-[3,5-dimethyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-(6-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[2-(1H-indazol-4-yl)-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]morpholine;(3R)-3-methyl-4-[2-(1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]morpholine is sourced from PubChem (CID 167537329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).