2-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propan-1-ol;2-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propyl methanesulfonate;4-[2-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propyl]morpholine

C65H87N13O8S — CID 158915134

About 2-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propan-1-ol;2-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propyl methanesulfonate;4-[2-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propyl]morpholine

2-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propan-1-ol;2-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propyl methanesulfonate;4-[2-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propyl]morpholine (PubChem CID 158915134) has the molecular formula C65H87N13O8S and a molecular weight of 1210.56 g/mol. Its IUPAC name is 2-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propan-1-ol;2-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propyl methanesulfonate;4-[2-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propyl]morpholine.

Molecular Properties

• Compound Name: 2-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propan-1-ol;2-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propyl methanesulfonate;4-[2-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propyl]morpholine
• PubChem CID: 158915134
• Molecular Formula: C65H87N13O8S
• Molecular Weight: 1210.56 g/mol
• Exact Mass: 1209.65
• IUPAC Name: 2-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propan-1-ol;2-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propyl methanesulfonate;4-[2-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propyl]morpholine
• SMILES: COc1nc(C(C)C)ccc1-c1nc2c(nc1C)c(C(C)CN1CCOCC1)cn2C.COc1nc(C(C)C)ccc1-c1nc2c(nc1C)c(C(C)CO)cn2C.COc1nc(C(C)C)ccc1-c1nc2c(nc1C)c(C(C)COS(C)(=O)=O)cn2C
• InChI: InChI=1S/C24H33N5O2.C21H28N4O4S.C20H26N4O2/c1-15(2)20-8-7-18(24(26-20)30-6)21-17(4)25-22-19(14-28(5)23(22)27-21)16(3)13-29-9-11-31-12-10-29;1-12(2)17-9-8-15(21(23-17)28-6)18-14(4)22-19-16(10-25(5)20(19)24-18)13(3)11-29-30(7,26)27;1-11(2)16-8-7-14(20(22-16)26-6)17-13(4)21-18-15(12(3)10-25)9-24(5)19(18)23-17/h7-8,14-16H,9-13H2,1-6H3;8-10,12-13H,11H2,1-7H3;7-9,11-12,25H,10H2,1-6H3
• InChIKey: JHDFGZSDBVXIPJ-UHFFFAOYSA-N
• XLogP: 11.02
• TPSA: 234.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 21
• Rotatable Bonds: 18
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1210.56
LogP ≤ 5	11.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propan-1-ol;2-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propyl methanesulfonate;4-[2-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propyl]morpholine?

The IUPAC name of 2-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propan-1-ol;2-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propyl methanesulfonate;4-[2-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propyl]morpholine (CID 158915134) is 2-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propan-1-ol;2-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propyl methanesulfonate;4-[2-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propyl]morpholine.

What is the SMILES notation for 2-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propan-1-ol;2-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propyl methanesulfonate;4-[2-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propyl]morpholine?

The canonical SMILES for 2-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propan-1-ol;2-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propyl methanesulfonate;4-[2-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propyl]morpholine is COc1nc(C(C)C)ccc1-c1nc2c(nc1C)c(C(C)CN1CCOCC1)cn2C.COc1nc(C(C)C)ccc1-c1nc2c(nc1C)c(C(C)CO)cn2C.COc1nc(C(C)C)ccc1-c1nc2c(nc1C)c(C(C)COS(C)(=O)=O)cn2C.

What is the InChIKey of 2-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propan-1-ol;2-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propyl methanesulfonate;4-[2-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propyl]morpholine?

The InChIKey is JHDFGZSDBVXIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O2.C21H28N4O4S.C20H26N4O2/c1-15(2)20-8-7-18(24(26-20)30-6)21-17(4)25-22-19(14-28(5)23(22)27-21)16(3)13-29-9-11-31-12-10-29;1-12(2)17-9-8-15(21(23-17)28-6)18-14(4)22-19-16(10-25(5)20(19)24-18)13(3)11-29-30(7,26)27;1-11(2)16-8-7-14(20(22-16)26-6)17-13(4)21-18-15(12(3)10-25)9-24(5)19(18)23-17/h7-8,14-16H,9-13H2,1-6H3;8-10,12-13H,11H2,1-7H3;7-9,11-12,25H,10H2,1-6H3.

What are the key properties of 2-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propan-1-ol;2-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propyl methanesulfonate;4-[2-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propyl]morpholine?

2-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propan-1-ol;2-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propyl methanesulfonate;4-[2-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propyl]morpholine has a molecular weight of 1210.56 g/mol, XLogP of 11.02, 18 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propan-1-ol;2-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propyl methanesulfonate;4-[2-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propyl]morpholine is sourced from PubChem (CID 158915134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).