4-ethyl-6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine;4-(2-methoxyethyl)-6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine;6-(5-methoxy-1-methylindol-3-yl)-4-(3-methoxypropoxy)-7H-pyrrolo[2,3-d]pyrimidine;6-(5-methoxy-1-methylindol-3-yl)-4-methyl-7H-pyrrolo[2,3-d]pyrimidine;6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine

C90H90N20O8 — CID 158953452

About 4-ethyl-6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine;4-(2-methoxyethyl)-6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine;6-(5-methoxy-1-methylindol-3-yl)-4-(3-methoxypropoxy)-7H-pyrrolo[2,3-d]pyrimidine;6-(5-methoxy-1-methylindol-3-yl)-4-methyl-7H-pyrrolo[2,3-d]pyrimidine;6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine

4-ethyl-6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine;4-(2-methoxyethyl)-6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine;6-(5-methoxy-1-methylindol-3-yl)-4-(3-methoxypropoxy)-7H-pyrrolo[2,3-d]pyrimidine;6-(5-methoxy-1-methylindol-3-yl)-4-methyl-7H-pyrrolo[2,3-d]pyrimidine;6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 158953452) has the molecular formula C90H90N20O8 and a molecular weight of 1579.84 g/mol. Its IUPAC name is 4-ethyl-6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine;4-(2-methoxyethyl)-6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine;6-(5-methoxy-1-methylindol-3-yl)-4-(3-methoxypropoxy)-7H-pyrrolo[2,3-d]pyrimidine;6-(5-methoxy-1-methylindol-3-yl)-4-methyl-7H-pyrrolo[2,3-d]pyrimidine;6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

• Compound Name: 4-ethyl-6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine;4-(2-methoxyethyl)-6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine;6-(5-methoxy-1-methylindol-3-yl)-4-(3-methoxypropoxy)-7H-pyrrolo[2,3-d]pyrimidine;6-(5-methoxy-1-methylindol-3-yl)-4-methyl-7H-pyrrolo[2,3-d]pyrimidine;6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine
• PubChem CID: 158953452
• Molecular Formula: C90H90N20O8
• Molecular Weight: 1579.84 g/mol
• Exact Mass: 1578.73
• IUPAC Name: 4-ethyl-6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine;4-(2-methoxyethyl)-6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine;6-(5-methoxy-1-methylindol-3-yl)-4-(3-methoxypropoxy)-7H-pyrrolo[2,3-d]pyrimidine;6-(5-methoxy-1-methylindol-3-yl)-4-methyl-7H-pyrrolo[2,3-d]pyrimidine;6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine
• SMILES: CCc1ncnc2[nH]c(-c3cn(C)c4ccc(OC)cc34)cc12.COCCCOc1ncnc2[nH]c(-c3cn(C)c4ccc(OC)cc34)cc12.COCCc1ncnc2[nH]c(-c3cn(C)c4ccc(OC)cc34)cc12.COc1ccc2c(c1)c(-c1cc3c(C)ncnc3[nH]1)cn2C.COc1ccc2c(c1)c(-c1cc3cncnc3[nH]1)cn2C
• InChI: InChI=1S/C20H22N4O3.C19H20N4O2.C18H18N4O.C17H16N4O.C16H14N4O/c1-24-11-16(14-9-13(26-3)5-6-18(14)24)17-10-15-19(23-17)21-12-22-20(15)27-8-4-7-25-2;1-23-10-15(13-8-12(25-3)4-5-18(13)23)17-9-14-16(6-7-24-2)20-11-21-19(14)22-17;1-4-15-13-8-16(21-18(13)20-10-19-15)14-9-22(2)17-6-5-11(23-3)7-12(14)17;1-10-12-7-15(20-17(12)19-9-18-10)14-8-21(2)16-5-4-11(22-3)6-13(14)16;1-20-8-13(12-6-11(21-2)3-4-15(12)20)14-5-10-7-17-9-18-16(10)19-14/h5-6,9-12H,4,7-8H2,1-3H3,(H,21,22,23);4-5,8-11H,6-7H2,1-3H3,(H,20,21,22);5-10H,4H2,1-3H3,(H,19,20,21);4-9H,1-3H3,(H,18,19,20);3-9H,1-2H3,(H,17,18,19)
• InChIKey: JLSFKACEDHCKFL-UHFFFAOYSA-N
• XLogP: 17.10
• TPSA: 306.34 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 19
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1579.84
LogP ≤ 5	17.10
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine;4-(2-methoxyethyl)-6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine;6-(5-methoxy-1-methylindol-3-yl)-4-(3-methoxypropoxy)-7H-pyrrolo[2,3-d]pyrimidine;6-(5-methoxy-1-methylindol-3-yl)-4-methyl-7H-pyrrolo[2,3-d]pyrimidine;6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine?

The IUPAC name of 4-ethyl-6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine;4-(2-methoxyethyl)-6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine;6-(5-methoxy-1-methylindol-3-yl)-4-(3-methoxypropoxy)-7H-pyrrolo[2,3-d]pyrimidine;6-(5-methoxy-1-methylindol-3-yl)-4-methyl-7H-pyrrolo[2,3-d]pyrimidine;6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine (CID 158953452) is 4-ethyl-6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine;4-(2-methoxyethyl)-6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine;6-(5-methoxy-1-methylindol-3-yl)-4-(3-methoxypropoxy)-7H-pyrrolo[2,3-d]pyrimidine;6-(5-methoxy-1-methylindol-3-yl)-4-methyl-7H-pyrrolo[2,3-d]pyrimidine;6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine.

What is the SMILES notation for 4-ethyl-6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine;4-(2-methoxyethyl)-6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine;6-(5-methoxy-1-methylindol-3-yl)-4-(3-methoxypropoxy)-7H-pyrrolo[2,3-d]pyrimidine;6-(5-methoxy-1-methylindol-3-yl)-4-methyl-7H-pyrrolo[2,3-d]pyrimidine;6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine?

The canonical SMILES for 4-ethyl-6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine;4-(2-methoxyethyl)-6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine;6-(5-methoxy-1-methylindol-3-yl)-4-(3-methoxypropoxy)-7H-pyrrolo[2,3-d]pyrimidine;6-(5-methoxy-1-methylindol-3-yl)-4-methyl-7H-pyrrolo[2,3-d]pyrimidine;6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine is CCc1ncnc2[nH]c(-c3cn(C)c4ccc(OC)cc34)cc12.COCCCOc1ncnc2[nH]c(-c3cn(C)c4ccc(OC)cc34)cc12.COCCc1ncnc2[nH]c(-c3cn(C)c4ccc(OC)cc34)cc12.COc1ccc2c(c1)c(-c1cc3c(C)ncnc3[nH]1)cn2C.COc1ccc2c(c1)c(-c1cc3cncnc3[nH]1)cn2C.

What is the InChIKey of 4-ethyl-6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine;4-(2-methoxyethyl)-6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine;6-(5-methoxy-1-methylindol-3-yl)-4-(3-methoxypropoxy)-7H-pyrrolo[2,3-d]pyrimidine;6-(5-methoxy-1-methylindol-3-yl)-4-methyl-7H-pyrrolo[2,3-d]pyrimidine;6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine?

The InChIKey is JLSFKACEDHCKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3.C19H20N4O2.C18H18N4O.C17H16N4O.C16H14N4O/c1-24-11-16(14-9-13(26-3)5-6-18(14)24)17-10-15-19(23-17)21-12-22-20(15)27-8-4-7-25-2;1-23-10-15(13-8-12(25-3)4-5-18(13)23)17-9-14-16(6-7-24-2)20-11-21-19(14)22-17;1-4-15-13-8-16(21-18(13)20-10-19-15)14-9-22(2)17-6-5-11(23-3)7-12(14)17;1-10-12-7-15(20-17(12)19-9-18-10)14-8-21(2)16-5-4-11(22-3)6-13(14)16;1-20-8-13(12-6-11(21-2)3-4-15(12)20)14-5-10-7-17-9-18-16(10)19-14/h5-6,9-12H,4,7-8H2,1-3H3,(H,21,22,23);4-5,8-11H,6-7H2,1-3H3,(H,20,21,22);5-10H,4H2,1-3H3,(H,19,20,21);4-9H,1-3H3,(H,18,19,20);3-9H,1-2H3,(H,17,18,19).

What are the key properties of 4-ethyl-6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine;4-(2-methoxyethyl)-6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine;6-(5-methoxy-1-methylindol-3-yl)-4-(3-methoxypropoxy)-7H-pyrrolo[2,3-d]pyrimidine;6-(5-methoxy-1-methylindol-3-yl)-4-methyl-7H-pyrrolo[2,3-d]pyrimidine;6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine?

4-ethyl-6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine;4-(2-methoxyethyl)-6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine;6-(5-methoxy-1-methylindol-3-yl)-4-(3-methoxypropoxy)-7H-pyrrolo[2,3-d]pyrimidine;6-(5-methoxy-1-methylindol-3-yl)-4-methyl-7H-pyrrolo[2,3-d]pyrimidine;6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 1579.84 g/mol, XLogP of 17.10, 19 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-ethyl-6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine;4-(2-methoxyethyl)-6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine;6-(5-methoxy-1-methylindol-3-yl)-4-(3-methoxypropoxy)-7H-pyrrolo[2,3-d]pyrimidine;6-(5-methoxy-1-methylindol-3-yl)-4-methyl-7H-pyrrolo[2,3-d]pyrimidine;6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 158953452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).