3-methoxy-N-(2-methoxyethyl)-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-4-[[5-(6-methoxy-3-pyridinyl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;3-methoxy-N-methyl-4-[[4-(oxan-4-yloxy)-5-(2H-pyrrol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;N,N,3-trimethyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-[(3R)-oxan-3-yl]oxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide

C109H116N24O19 — CID 159707555

About 3-methoxy-N-(2-methoxyethyl)-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-4-[[5-(6-methoxy-3-pyridinyl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;3-methoxy-N-methyl-4-[[4-(oxan-4-yloxy)-5-(2H-pyrrol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;N,N,3-trimethyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-[(3R)-oxan-3-yl]oxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide

3-methoxy-N-(2-methoxyethyl)-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-4-[[5-(6-methoxy-3-pyridinyl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;3-methoxy-N-methyl-4-[[4-(oxan-4-yloxy)-5-(2H-pyrrol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;N,N,3-trimethyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-[(3R)-oxan-3-yl]oxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide (PubChem CID 159707555) has the molecular formula C109H116N24O19 and a molecular weight of 2066.28 g/mol. Its IUPAC name is 3-methoxy-N-(2-methoxyethyl)-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-4-[[5-(6-methoxy-3-pyridinyl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;3-methoxy-N-methyl-4-[[4-(oxan-4-yloxy)-5-(2H-pyrrol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;N,N,3-trimethyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-[(3R)-oxan-3-yl]oxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide.

Molecular Properties

• Compound Name: 3-methoxy-N-(2-methoxyethyl)-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-4-[[5-(6-methoxy-3-pyridinyl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;3-methoxy-N-methyl-4-[[4-(oxan-4-yloxy)-5-(2H-pyrrol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;N,N,3-trimethyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-[(3R)-oxan-3-yl]oxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide
• PubChem CID: 159707555
• Molecular Formula: C109H116N24O19
• Molecular Weight: 2066.28 g/mol
• Exact Mass: 2064.88
• IUPAC Name: 3-methoxy-N-(2-methoxyethyl)-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-4-[[5-(6-methoxy-3-pyridinyl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;3-methoxy-N-methyl-4-[[4-(oxan-4-yloxy)-5-(2H-pyrrol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;N,N,3-trimethyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-[(3R)-oxan-3-yl]oxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide
• SMILES: CNC(=O)c1ccc(Nc2nc(OC3CCOCC3)c3c(-c4ccc(OC)nc4)c[nH]c3n2)c(OC)c1.CNC(=O)c1ccc(Nc2nc(OC3CCOCC3)c3c(C4=CCN=C4)c[nH]c3n2)c(OC)c1.COCCNC(=O)c1ccc(Nc2nc(OC3CCOCC3)c3c(-c4ccc5nc(C)oc5c4)c[nH]c3n2)c(OC)c1.Cc1nc2ccc(-c3c[nH]c4nc(Nc5ccc(C(=O)N(C)C)cc5C)nc(O[C@@H]5CCCOC5)c34)cc2o1
• InChI: InChI=1S/C30H32N6O6.C29H30N6O4.C26H28N6O5.C24H26N6O4/c1-17-33-23-6-4-18(14-25(23)41-17)21-16-32-27-26(21)29(42-20-8-11-40-12-9-20)36-30(35-27)34-22-7-5-19(15-24(22)39-3)28(37)31-10-13-38-2;1-16-12-19(28(36)35(3)4)8-9-22(16)32-29-33-26-25(27(34-29)39-20-6-5-11-37-15-20)21(14-30-26)18-7-10-23-24(13-18)38-17(2)31-23;1-27-24(33)15-4-6-19(20(12-15)34-2)30-26-31-23-22(25(32-26)37-17-8-10-36-11-9-17)18(14-29-23)16-5-7-21(35-3)28-13-16;1-25-22(31)14-3-4-18(19(11-14)32-2)28-24-29-21-20(17(13-27-21)15-5-8-26-12-15)23(30-24)34-16-6-9-33-10-7-16/h4-7,14-16,20H,8-13H2,1-3H3,(H,31,37)(H2,32,34,35,36);7-10,12-14,20H,5-6,11,15H2,1-4H3,(H2,30,32,33,34);4-7,12-14,17H,8-11H2,1-3H3,(H,27,33)(H2,29,30,31,32);3-5,11-13,16H,6-10H2,1-2H3,(H,25,31)(H2,27,28,29,30)/t;20-;;/m.1../s1
• InChIKey: MYKKTJFRGILTIL-VPBLGSKMSA-N
• XLogP: 16.94
• TPSA: 519.31 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 35
• Rotatable Bonds: 31
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2066.28
LogP ≤ 5	16.94
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(2-methoxyethyl)-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-4-[[5-(6-methoxy-3-pyridinyl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;3-methoxy-N-methyl-4-[[4-(oxan-4-yloxy)-5-(2H-pyrrol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;N,N,3-trimethyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-[(3R)-oxan-3-yl]oxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide?

The IUPAC name of 3-methoxy-N-(2-methoxyethyl)-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-4-[[5-(6-methoxy-3-pyridinyl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;3-methoxy-N-methyl-4-[[4-(oxan-4-yloxy)-5-(2H-pyrrol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;N,N,3-trimethyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-[(3R)-oxan-3-yl]oxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide (CID 159707555) is 3-methoxy-N-(2-methoxyethyl)-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-4-[[5-(6-methoxy-3-pyridinyl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;3-methoxy-N-methyl-4-[[4-(oxan-4-yloxy)-5-(2H-pyrrol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;N,N,3-trimethyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-[(3R)-oxan-3-yl]oxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide.

What is the SMILES notation for 3-methoxy-N-(2-methoxyethyl)-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-4-[[5-(6-methoxy-3-pyridinyl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;3-methoxy-N-methyl-4-[[4-(oxan-4-yloxy)-5-(2H-pyrrol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;N,N,3-trimethyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-[(3R)-oxan-3-yl]oxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide?

The canonical SMILES for 3-methoxy-N-(2-methoxyethyl)-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-4-[[5-(6-methoxy-3-pyridinyl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;3-methoxy-N-methyl-4-[[4-(oxan-4-yloxy)-5-(2H-pyrrol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;N,N,3-trimethyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-[(3R)-oxan-3-yl]oxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide is CNC(=O)c1ccc(Nc2nc(OC3CCOCC3)c3c(-c4ccc(OC)nc4)c[nH]c3n2)c(OC)c1.CNC(=O)c1ccc(Nc2nc(OC3CCOCC3)c3c(C4=CCN=C4)c[nH]c3n2)c(OC)c1.COCCNC(=O)c1ccc(Nc2nc(OC3CCOCC3)c3c(-c4ccc5nc(C)oc5c4)c[nH]c3n2)c(OC)c1.Cc1nc2ccc(-c3c[nH]c4nc(Nc5ccc(C(=O)N(C)C)cc5C)nc(O[C@@H]5CCCOC5)c34)cc2o1.

What is the InChIKey of 3-methoxy-N-(2-methoxyethyl)-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-4-[[5-(6-methoxy-3-pyridinyl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;3-methoxy-N-methyl-4-[[4-(oxan-4-yloxy)-5-(2H-pyrrol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;N,N,3-trimethyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-[(3R)-oxan-3-yl]oxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide?

The InChIKey is MYKKTJFRGILTIL-VPBLGSKMSA-N. The full InChI is InChI=1S/C30H32N6O6.C29H30N6O4.C26H28N6O5.C24H26N6O4/c1-17-33-23-6-4-18(14-25(23)41-17)21-16-32-27-26(21)29(42-20-8-11-40-12-9-20)36-30(35-27)34-22-7-5-19(15-24(22)39-3)28(37)31-10-13-38-2;1-16-12-19(28(36)35(3)4)8-9-22(16)32-29-33-26-25(27(34-29)39-20-6-5-11-37-15-20)21(14-30-26)18-7-10-23-24(13-18)38-17(2)31-23;1-27-24(33)15-4-6-19(20(12-15)34-2)30-26-31-23-22(25(32-26)37-17-8-10-36-11-9-17)18(14-29-23)16-5-7-21(35-3)28-13-16;1-25-22(31)14-3-4-18(19(11-14)32-2)28-24-29-21-20(17(13-27-21)15-5-8-26-12-15)23(30-24)34-16-6-9-33-10-7-16/h4-7,14-16,20H,8-13H2,1-3H3,(H,31,37)(H2,32,34,35,36);7-10,12-14,20H,5-6,11,15H2,1-4H3,(H2,30,32,33,34);4-7,12-14,17H,8-11H2,1-3H3,(H,27,33)(H2,29,30,31,32);3-5,11-13,16H,6-10H2,1-2H3,(H,25,31)(H2,27,28,29,30)/t;20-;;/m.1../s1.

What are the key properties of 3-methoxy-N-(2-methoxyethyl)-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-4-[[5-(6-methoxy-3-pyridinyl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;3-methoxy-N-methyl-4-[[4-(oxan-4-yloxy)-5-(2H-pyrrol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;N,N,3-trimethyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-[(3R)-oxan-3-yl]oxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide?

3-methoxy-N-(2-methoxyethyl)-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-4-[[5-(6-methoxy-3-pyridinyl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;3-methoxy-N-methyl-4-[[4-(oxan-4-yloxy)-5-(2H-pyrrol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;N,N,3-trimethyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-[(3R)-oxan-3-yl]oxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide has a molecular weight of 2066.28 g/mol, XLogP of 16.94, 31 rotatable bonds, 11 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methoxy-N-(2-methoxyethyl)-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-4-[[5-(6-methoxy-3-pyridinyl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;3-methoxy-N-methyl-4-[[4-(oxan-4-yloxy)-5-(2H-pyrrol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;N,N,3-trimethyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-[(3R)-oxan-3-yl]oxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide is sourced from PubChem (CID 159707555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).