4-[[5-(2-amino-4-pyridinyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[5-(6-ethoxy-3-pyridinyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;3-methoxy-N-methyl-4-[[5-[4-(1-methylpyrrol-2-yl)phenyl]-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide

C79H85N19O11 — CID 157484244

About 4-[[5-(2-amino-4-pyridinyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[5-(6-ethoxy-3-pyridinyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;3-methoxy-N-methyl-4-[[5-[4-(1-methylpyrrol-2-yl)phenyl]-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide

4-[[5-(2-amino-4-pyridinyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[5-(6-ethoxy-3-pyridinyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;3-methoxy-N-methyl-4-[[5-[4-(1-methylpyrrol-2-yl)phenyl]-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide (PubChem CID 157484244) has the molecular formula C79H85N19O11 and a molecular weight of 1476.67 g/mol. Its IUPAC name is 4-[[5-(2-amino-4-pyridinyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[5-(6-ethoxy-3-pyridinyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;3-methoxy-N-methyl-4-[[5-[4-(1-methylpyrrol-2-yl)phenyl]-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide.

Molecular Properties

• Compound Name: 4-[[5-(2-amino-4-pyridinyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[5-(6-ethoxy-3-pyridinyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;3-methoxy-N-methyl-4-[[5-[4-(1-methylpyrrol-2-yl)phenyl]-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide
• PubChem CID: 157484244
• Molecular Formula: C79H85N19O11
• Molecular Weight: 1476.67 g/mol
• Exact Mass: 1475.67
• IUPAC Name: 4-[[5-(2-amino-4-pyridinyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[5-(6-ethoxy-3-pyridinyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;3-methoxy-N-methyl-4-[[5-[4-(1-methylpyrrol-2-yl)phenyl]-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide
• SMILES: CCOc1ccc(-c2c[nH]c3nc(Nc4ccc(C(=O)NC)cc4OC)nc(OC(C)C)c23)cn1.CNC(=O)c1ccc(Nc2nc(OC(C)C)c3c(-c4ccnc(N)c4)c[nH]c3n2)c(OC)c1.CNC(=O)c1ccc(Nc2nc(OC3CCOCC3)c3c(-c4ccc(-c5cccn5C)cc4)c[nH]c3n2)c(OC)c1
• InChI: InChI=1S/C31H32N6O4.C25H28N6O4.C23H25N7O3/c1-32-29(38)21-10-11-24(26(17-21)39-3)34-31-35-28-27(30(36-31)41-22-12-15-40-16-13-22)23(18-33-28)19-6-8-20(9-7-19)25-5-4-14-37(25)2;1-6-34-20-10-8-16(12-27-20)17-13-28-22-21(17)24(35-14(2)3)31-25(30-22)29-18-9-7-15(23(32)26-4)11-19(18)33-5;1-12(2)33-22-19-15(13-7-8-26-18(24)10-13)11-27-20(19)29-23(30-22)28-16-6-5-14(21(31)25-3)9-17(16)32-4/h4-11,14,17-18,22H,12-13,15-16H2,1-3H3,(H,32,38)(H2,33,34,35,36);7-14H,6H2,1-5H3,(H,26,32)(H2,28,29,30,31);5-12H,1-4H3,(H2,24,26)(H,25,31)(H2,27,28,29,30)
• InChIKey: BWNBUHXKILONBU-UHFFFAOYSA-N
• XLogP: 13.12
• TPSA: 378.67 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 24
• Rotatable Bonds: 24
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1476.67
LogP ≤ 5	13.12
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(2-amino-4-pyridinyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[5-(6-ethoxy-3-pyridinyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;3-methoxy-N-methyl-4-[[5-[4-(1-methylpyrrol-2-yl)phenyl]-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide?

The IUPAC name of 4-[[5-(2-amino-4-pyridinyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[5-(6-ethoxy-3-pyridinyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;3-methoxy-N-methyl-4-[[5-[4-(1-methylpyrrol-2-yl)phenyl]-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide (CID 157484244) is 4-[[5-(2-amino-4-pyridinyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[5-(6-ethoxy-3-pyridinyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;3-methoxy-N-methyl-4-[[5-[4-(1-methylpyrrol-2-yl)phenyl]-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide.

What is the SMILES notation for 4-[[5-(2-amino-4-pyridinyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[5-(6-ethoxy-3-pyridinyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;3-methoxy-N-methyl-4-[[5-[4-(1-methylpyrrol-2-yl)phenyl]-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide?

The canonical SMILES for 4-[[5-(2-amino-4-pyridinyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[5-(6-ethoxy-3-pyridinyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;3-methoxy-N-methyl-4-[[5-[4-(1-methylpyrrol-2-yl)phenyl]-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide is CCOc1ccc(-c2c[nH]c3nc(Nc4ccc(C(=O)NC)cc4OC)nc(OC(C)C)c23)cn1.CNC(=O)c1ccc(Nc2nc(OC(C)C)c3c(-c4ccnc(N)c4)c[nH]c3n2)c(OC)c1.CNC(=O)c1ccc(Nc2nc(OC3CCOCC3)c3c(-c4ccc(-c5cccn5C)cc4)c[nH]c3n2)c(OC)c1.

What is the InChIKey of 4-[[5-(2-amino-4-pyridinyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[5-(6-ethoxy-3-pyridinyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;3-methoxy-N-methyl-4-[[5-[4-(1-methylpyrrol-2-yl)phenyl]-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide?

The InChIKey is BWNBUHXKILONBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N6O4.C25H28N6O4.C23H25N7O3/c1-32-29(38)21-10-11-24(26(17-21)39-3)34-31-35-28-27(30(36-31)41-22-12-15-40-16-13-22)23(18-33-28)19-6-8-20(9-7-19)25-5-4-14-37(25)2;1-6-34-20-10-8-16(12-27-20)17-13-28-22-21(17)24(35-14(2)3)31-25(30-22)29-18-9-7-15(23(32)26-4)11-19(18)33-5;1-12(2)33-22-19-15(13-7-8-26-18(24)10-13)11-27-20(19)29-23(30-22)28-16-6-5-14(21(31)25-3)9-17(16)32-4/h4-11,14,17-18,22H,12-13,15-16H2,1-3H3,(H,32,38)(H2,33,34,35,36);7-14H,6H2,1-5H3,(H,26,32)(H2,28,29,30,31);5-12H,1-4H3,(H2,24,26)(H,25,31)(H2,27,28,29,30).

What are the key properties of 4-[[5-(2-amino-4-pyridinyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[5-(6-ethoxy-3-pyridinyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;3-methoxy-N-methyl-4-[[5-[4-(1-methylpyrrol-2-yl)phenyl]-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide?

4-[[5-(2-amino-4-pyridinyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[5-(6-ethoxy-3-pyridinyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;3-methoxy-N-methyl-4-[[5-[4-(1-methylpyrrol-2-yl)phenyl]-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide has a molecular weight of 1476.67 g/mol, XLogP of 13.12, 24 rotatable bonds, 10 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[5-(2-amino-4-pyridinyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[5-(6-ethoxy-3-pyridinyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;3-methoxy-N-methyl-4-[[5-[4-(1-methylpyrrol-2-yl)phenyl]-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide is sourced from PubChem (CID 157484244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).