3-methoxy-4-[[5-(2-methoxy-4-pyridinyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;3-methoxy-N-methyl-4-[[5-(1-methylpyrrol-3-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[5-(3-methylsulfonylphenyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[4-(oxan-4-yloxy)-5-pyrazin-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide

C98H106N24O17S — CID 157147659

About 3-methoxy-4-[[5-(2-methoxy-4-pyridinyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;3-methoxy-N-methyl-4-[[5-(1-methylpyrrol-3-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[5-(3-methylsulfonylphenyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[4-(oxan-4-yloxy)-5-pyrazin-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide

3-methoxy-4-[[5-(2-methoxy-4-pyridinyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;3-methoxy-N-methyl-4-[[5-(1-methylpyrrol-3-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[5-(3-methylsulfonylphenyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[4-(oxan-4-yloxy)-5-pyrazin-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide (PubChem CID 157147659) has the molecular formula C98H106N24O17S and a molecular weight of 1924.14 g/mol. Its IUPAC name is 3-methoxy-4-[[5-(2-methoxy-4-pyridinyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;3-methoxy-N-methyl-4-[[5-(1-methylpyrrol-3-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[5-(3-methylsulfonylphenyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[4-(oxan-4-yloxy)-5-pyrazin-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide.

Molecular Properties

• Compound Name: 3-methoxy-4-[[5-(2-methoxy-4-pyridinyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;3-methoxy-N-methyl-4-[[5-(1-methylpyrrol-3-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[5-(3-methylsulfonylphenyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[4-(oxan-4-yloxy)-5-pyrazin-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide
• PubChem CID: 157147659
• Molecular Formula: C98H106N24O17S
• Molecular Weight: 1924.14 g/mol
• Exact Mass: 1922.79
• IUPAC Name: 3-methoxy-4-[[5-(2-methoxy-4-pyridinyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;3-methoxy-N-methyl-4-[[5-(1-methylpyrrol-3-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[5-(3-methylsulfonylphenyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[4-(oxan-4-yloxy)-5-pyrazin-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide
• SMILES: CNC(=O)c1ccc(Nc2nc(OC(C)C)c3c(-c4cccc(S(C)(=O)=O)c4)c[nH]c3n2)c(OC)c1.CNC(=O)c1ccc(Nc2nc(OC(C)C)c3c(-c4ccnc(OC)c4)c[nH]c3n2)c(OC)c1.CNC(=O)c1ccc(Nc2nc(OC3CCOCC3)c3c(-c4ccn(C)c4)c[nH]c3n2)c(OC)c1.CNC(=O)c1ccc(Nc2nc(OC3CCOCC3)c3c(-c4cnccn4)c[nH]c3n2)c(OC)c1
• InChI: InChI=1S/C25H28N6O4.C25H27N5O5S.C24H25N7O4.C24H26N6O4/c1-26-23(32)15-4-5-19(20(12-15)33-3)28-25-29-22-21(18(13-27-22)16-6-9-31(2)14-16)24(30-25)35-17-7-10-34-11-8-17;1-14(2)35-24-21-18(15-7-6-8-17(11-15)36(5,32)33)13-27-22(21)29-25(30-24)28-19-10-9-16(23(31)26-3)12-20(19)34-4;1-25-22(32)14-3-4-17(19(11-14)33-2)29-24-30-21-20(16(12-28-21)18-13-26-7-8-27-18)23(31-24)35-15-5-9-34-10-6-15;1-13(2)34-23-20-16(14-8-9-26-19(11-14)33-5)12-27-21(20)29-24(30-23)28-17-7-6-15(22(31)25-3)10-18(17)32-4/h4-6,9,12-14,17H,7-8,10-11H2,1-3H3,(H,26,32)(H2,27,28,29,30);6-14H,1-5H3,(H,26,31)(H2,27,28,29,30);3-4,7-8,11-13,15H,5-6,9-10H2,1-2H3,(H,25,32)(H2,28,29,30,31);6-13H,1-5H3,(H,25,31)(H2,27,28,29,30)
• InChIKey: AKWUFMJLRXAQOD-UHFFFAOYSA-N
• XLogP: 14.57
• TPSA: 510.07 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 33
• Rotatable Bonds: 30
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1924.14
LogP ≤ 5	14.57
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[[5-(2-methoxy-4-pyridinyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;3-methoxy-N-methyl-4-[[5-(1-methylpyrrol-3-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[5-(3-methylsulfonylphenyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[4-(oxan-4-yloxy)-5-pyrazin-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide?

The IUPAC name of 3-methoxy-4-[[5-(2-methoxy-4-pyridinyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;3-methoxy-N-methyl-4-[[5-(1-methylpyrrol-3-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[5-(3-methylsulfonylphenyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[4-(oxan-4-yloxy)-5-pyrazin-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide (CID 157147659) is 3-methoxy-4-[[5-(2-methoxy-4-pyridinyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;3-methoxy-N-methyl-4-[[5-(1-methylpyrrol-3-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[5-(3-methylsulfonylphenyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[4-(oxan-4-yloxy)-5-pyrazin-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide.

What is the SMILES notation for 3-methoxy-4-[[5-(2-methoxy-4-pyridinyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;3-methoxy-N-methyl-4-[[5-(1-methylpyrrol-3-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[5-(3-methylsulfonylphenyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[4-(oxan-4-yloxy)-5-pyrazin-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide?

The canonical SMILES for 3-methoxy-4-[[5-(2-methoxy-4-pyridinyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;3-methoxy-N-methyl-4-[[5-(1-methylpyrrol-3-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[5-(3-methylsulfonylphenyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[4-(oxan-4-yloxy)-5-pyrazin-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide is CNC(=O)c1ccc(Nc2nc(OC(C)C)c3c(-c4cccc(S(C)(=O)=O)c4)c[nH]c3n2)c(OC)c1.CNC(=O)c1ccc(Nc2nc(OC(C)C)c3c(-c4ccnc(OC)c4)c[nH]c3n2)c(OC)c1.CNC(=O)c1ccc(Nc2nc(OC3CCOCC3)c3c(-c4ccn(C)c4)c[nH]c3n2)c(OC)c1.CNC(=O)c1ccc(Nc2nc(OC3CCOCC3)c3c(-c4cnccn4)c[nH]c3n2)c(OC)c1.

What is the InChIKey of 3-methoxy-4-[[5-(2-methoxy-4-pyridinyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;3-methoxy-N-methyl-4-[[5-(1-methylpyrrol-3-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[5-(3-methylsulfonylphenyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[4-(oxan-4-yloxy)-5-pyrazin-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide?

The InChIKey is AKWUFMJLRXAQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O4.C25H27N5O5S.C24H25N7O4.C24H26N6O4/c1-26-23(32)15-4-5-19(20(12-15)33-3)28-25-29-22-21(18(13-27-22)16-6-9-31(2)14-16)24(30-25)35-17-7-10-34-11-8-17;1-14(2)35-24-21-18(15-7-6-8-17(11-15)36(5,32)33)13-27-22(21)29-25(30-24)28-19-10-9-16(23(31)26-3)12-20(19)34-4;1-25-22(32)14-3-4-17(19(11-14)33-2)29-24-30-21-20(16(12-28-21)18-13-26-7-8-27-18)23(31-24)35-15-5-9-34-10-6-15;1-13(2)34-23-20-16(14-8-9-26-19(11-14)33-5)12-27-21(20)29-24(30-23)28-17-7-6-15(22(31)25-3)10-18(17)32-4/h4-6,9,12-14,17H,7-8,10-11H2,1-3H3,(H,26,32)(H2,27,28,29,30);6-14H,1-5H3,(H,26,31)(H2,27,28,29,30);3-4,7-8,11-13,15H,5-6,9-10H2,1-2H3,(H,25,32)(H2,28,29,30,31);6-13H,1-5H3,(H,25,31)(H2,27,28,29,30).

What are the key properties of 3-methoxy-4-[[5-(2-methoxy-4-pyridinyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;3-methoxy-N-methyl-4-[[5-(1-methylpyrrol-3-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[5-(3-methylsulfonylphenyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[4-(oxan-4-yloxy)-5-pyrazin-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide?

3-methoxy-4-[[5-(2-methoxy-4-pyridinyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;3-methoxy-N-methyl-4-[[5-(1-methylpyrrol-3-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[5-(3-methylsulfonylphenyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[4-(oxan-4-yloxy)-5-pyrazin-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide has a molecular weight of 1924.14 g/mol, XLogP of 14.57, 30 rotatable bonds, 12 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methoxy-4-[[5-(2-methoxy-4-pyridinyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;3-methoxy-N-methyl-4-[[5-(1-methylpyrrol-3-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[5-(3-methylsulfonylphenyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[4-(oxan-4-yloxy)-5-pyrazin-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide is sourced from PubChem (CID 157147659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).