N,N-dimethyl-2-[4-methyl-3-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]phenyl]sulfonylpropan-1-amine;(3R)-4-[6-[3,5-dimethyl-1-[(1-methylpiperidin-3-yl)methyl]pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[6-[2-methyl-5-(1-methylpiperidin-4-yl)sulfonylphenyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine

C113H140N28O8S2 — CID 167653882

About N,N-dimethyl-2-[4-methyl-3-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]phenyl]sulfonylpropan-1-amine;(3R)-4-[6-[3,5-dimethyl-1-[(1-methylpiperidin-3-yl)methyl]pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[6-[2-methyl-5-(1-methylpiperidin-4-yl)sulfonylphenyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine

N,N-dimethyl-2-[4-methyl-3-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]phenyl]sulfonylpropan-1-amine;(3R)-4-[6-[3,5-dimethyl-1-[(1-methylpiperidin-3-yl)methyl]pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[6-[2-methyl-5-(1-methylpiperidin-4-yl)sulfonylphenyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine (PubChem CID 167653882) has the molecular formula C113H140N28O8S2 and a molecular weight of 2082.68 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-methyl-3-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]phenyl]sulfonylpropan-1-amine;(3R)-4-[6-[3,5-dimethyl-1-[(1-methylpiperidin-3-yl)methyl]pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[6-[2-methyl-5-(1-methylpiperidin-4-yl)sulfonylphenyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine.

Molecular Properties

• Compound Name: N,N-dimethyl-2-[4-methyl-3-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]phenyl]sulfonylpropan-1-amine;(3R)-4-[6-[3,5-dimethyl-1-[(1-methylpiperidin-3-yl)methyl]pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[6-[2-methyl-5-(1-methylpiperidin-4-yl)sulfonylphenyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine
• PubChem CID: 167653882
• Molecular Formula: C113H140N28O8S2
• Molecular Weight: 2082.68 g/mol
• Exact Mass: 2081.09
• IUPAC Name: N,N-dimethyl-2-[4-methyl-3-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]phenyl]sulfonylpropan-1-amine;(3R)-4-[6-[3,5-dimethyl-1-[(1-methylpiperidin-3-yl)methyl]pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[6-[2-methyl-5-(1-methylpiperidin-4-yl)sulfonylphenyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine
• SMILES: Cc1ccc(S(=O)(=O)C(C)CN(C)C)cc1-c1cc(N2CCOC[C@H]2C)nc(-c2ccnc3[nH]ccc23)n1.Cc1ccc(S(=O)(=O)C2CCN(C)CC2)cc1-c1cc(N2CCOC[C@H]2C)nc(-c2ccnc3[nH]ccc23)n1.Cc1nn(CC2CCCN(C)C2)c(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2ccnc3[nH]ccc23)n1.Cc1nn(CC2CCN(C)CC2)c(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2ccnc3[nH]ccc23)n1
• InChI: InChI=1S/C29H34N6O3S.2C28H36N8O.C28H34N6O3S/c1-19-4-5-22(39(36,37)21-8-12-34(3)13-9-21)16-25(19)26-17-27(35-14-15-38-18-20(35)2)33-29(32-26)24-7-11-31-28-23(24)6-10-30-28;1-18-17-37-14-13-35(18)25-15-24(31-28(32-25)23-6-10-30-27-22(23)5-9-29-27)26-19(2)33-36(20(26)3)16-21-7-11-34(4)12-8-21;1-18-17-37-13-12-35(18)25-14-24(31-28(32-25)23-8-10-30-27-22(23)7-9-29-27)26-19(2)33-36(20(26)3)16-21-6-5-11-34(4)15-21;1-18-6-7-21(38(35,36)20(3)16-33(4)5)14-24(18)25-15-26(34-12-13-37-17-19(34)2)32-28(31-25)23-9-11-30-27-22(23)8-10-29-27/h4-7,10-11,16-17,20-21H,8-9,12-15,18H2,1-3H3,(H,30,31);5-6,9-10,15,18,21H,7-8,11-14,16-17H2,1-4H3,(H,29,30);7-10,14,18,21H,5-6,11-13,15-17H2,1-4H3,(H,29,30);6-11,14-15,19-20H,12-13,16-17H2,1-5H3,(H,29,30)/t20-;18-;18-,21?;19-,20?/m1111/s1
• InChIKey: QYUGQCVNWLUSDF-BBBKPOBRSA-N
• XLogP: 16.17
• TPSA: 384.60 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 32
• Rotatable Bonds: 22
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2082.68
LogP ≤ 5	16.17
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-methyl-3-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]phenyl]sulfonylpropan-1-amine;(3R)-4-[6-[3,5-dimethyl-1-[(1-methylpiperidin-3-yl)methyl]pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[6-[2-methyl-5-(1-methylpiperidin-4-yl)sulfonylphenyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine?

The IUPAC name of N,N-dimethyl-2-[4-methyl-3-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]phenyl]sulfonylpropan-1-amine;(3R)-4-[6-[3,5-dimethyl-1-[(1-methylpiperidin-3-yl)methyl]pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[6-[2-methyl-5-(1-methylpiperidin-4-yl)sulfonylphenyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine (CID 167653882) is N,N-dimethyl-2-[4-methyl-3-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]phenyl]sulfonylpropan-1-amine;(3R)-4-[6-[3,5-dimethyl-1-[(1-methylpiperidin-3-yl)methyl]pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[6-[2-methyl-5-(1-methylpiperidin-4-yl)sulfonylphenyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine.

What is the SMILES notation for N,N-dimethyl-2-[4-methyl-3-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]phenyl]sulfonylpropan-1-amine;(3R)-4-[6-[3,5-dimethyl-1-[(1-methylpiperidin-3-yl)methyl]pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[6-[2-methyl-5-(1-methylpiperidin-4-yl)sulfonylphenyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine?

The canonical SMILES for N,N-dimethyl-2-[4-methyl-3-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]phenyl]sulfonylpropan-1-amine;(3R)-4-[6-[3,5-dimethyl-1-[(1-methylpiperidin-3-yl)methyl]pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[6-[2-methyl-5-(1-methylpiperidin-4-yl)sulfonylphenyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine is Cc1ccc(S(=O)(=O)C(C)CN(C)C)cc1-c1cc(N2CCOC[C@H]2C)nc(-c2ccnc3[nH]ccc23)n1.Cc1ccc(S(=O)(=O)C2CCN(C)CC2)cc1-c1cc(N2CCOC[C@H]2C)nc(-c2ccnc3[nH]ccc23)n1.Cc1nn(CC2CCCN(C)C2)c(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2ccnc3[nH]ccc23)n1.Cc1nn(CC2CCN(C)CC2)c(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2ccnc3[nH]ccc23)n1.

What is the InChIKey of N,N-dimethyl-2-[4-methyl-3-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]phenyl]sulfonylpropan-1-amine;(3R)-4-[6-[3,5-dimethyl-1-[(1-methylpiperidin-3-yl)methyl]pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[6-[2-methyl-5-(1-methylpiperidin-4-yl)sulfonylphenyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine?

The InChIKey is QYUGQCVNWLUSDF-BBBKPOBRSA-N. The full InChI is InChI=1S/C29H34N6O3S.2C28H36N8O.C28H34N6O3S/c1-19-4-5-22(39(36,37)21-8-12-34(3)13-9-21)16-25(19)26-17-27(35-14-15-38-18-20(35)2)33-29(32-26)24-7-11-31-28-23(24)6-10-30-28;1-18-17-37-14-13-35(18)25-15-24(31-28(32-25)23-6-10-30-27-22(23)5-9-29-27)26-19(2)33-36(20(26)3)16-21-7-11-34(4)12-8-21;1-18-17-37-13-12-35(18)25-14-24(31-28(32-25)23-8-10-30-27-22(23)7-9-29-27)26-19(2)33-36(20(26)3)16-21-6-5-11-34(4)15-21;1-18-6-7-21(38(35,36)20(3)16-33(4)5)14-24(18)25-15-26(34-12-13-37-17-19(34)2)32-28(31-25)23-9-11-30-27-22(23)8-10-29-27/h4-7,10-11,16-17,20-21H,8-9,12-15,18H2,1-3H3,(H,30,31);5-6,9-10,15,18,21H,7-8,11-14,16-17H2,1-4H3,(H,29,30);7-10,14,18,21H,5-6,11-13,15-17H2,1-4H3,(H,29,30);6-11,14-15,19-20H,12-13,16-17H2,1-5H3,(H,29,30)/t20-;18-;18-,21?;19-,20?/m1111/s1.

What are the key properties of N,N-dimethyl-2-[4-methyl-3-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]phenyl]sulfonylpropan-1-amine;(3R)-4-[6-[3,5-dimethyl-1-[(1-methylpiperidin-3-yl)methyl]pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[6-[2-methyl-5-(1-methylpiperidin-4-yl)sulfonylphenyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine?

N,N-dimethyl-2-[4-methyl-3-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]phenyl]sulfonylpropan-1-amine;(3R)-4-[6-[3,5-dimethyl-1-[(1-methylpiperidin-3-yl)methyl]pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[6-[2-methyl-5-(1-methylpiperidin-4-yl)sulfonylphenyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine has a molecular weight of 2082.68 g/mol, XLogP of 16.17, 22 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-2-[4-methyl-3-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]phenyl]sulfonylpropan-1-amine;(3R)-4-[6-[3,5-dimethyl-1-[(1-methylpiperidin-3-yl)methyl]pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[6-[2-methyl-5-(1-methylpiperidin-4-yl)sulfonylphenyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine is sourced from PubChem (CID 167653882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).