4-[6-(5-methyl-7H-cyclopenta[b]pyridin-3-yl)pyrazin-2-yl]morpholine;2-[4-[6-(5-methyl-7H-cyclopenta[b]pyridin-3-yl)pyrazin-2-yl]piperazin-1-yl]ethanol;N-methyl-6-(5-methyl-7H-cyclopenta[b]pyridin-3-yl)-N-(oxan-4-ylmethyl)pyrazin-2-amine;5-methyl-3-[6-(4-methylpiperazin-1-yl)pyrazin-2-yl]-7H-cyclopenta[b]pyridine;5-methyl-3-[6-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]-7H-cyclopenta[b]pyridine;5-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine
C109H130BN23O5 — CID 159617564
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC4-[6-(5-methyl-7H-cyclopenta[b]pyridin-3-yl)pyrazin-2-yl]morpholine;2-[4-[6-(5-methyl-7H-cyclopenta[b]pyridin-3-yl)pyrazin-2-yl]piperazin-1-yl]ethanol;N-methyl-6-(5-methyl-7H-cyclopenta[b]pyridin-3-yl)-N-(oxan-4-ylmethyl)pyrazin-2-amine;5-methyl-3-[6-(4-methylpiperazin-1-yl)pyrazin-2-yl]-7H-cyclopenta[b]pyridine;5-methyl-3-[6-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]-7H-cyclopenta[b]pyridine;5-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine
SMILESCC1=CCc2ncc(-c3cncc(CC4CCN(C)CC4)n3)cc21.CC1=CCc2ncc(-c3cncc(N(C)CC4CCOCC4)n3)cc21.CC1=CCc2ncc(-c3cncc(N4CCN(C)CC4)n3)cc21.CC1=CCc2ncc(-c3cncc(N4CCN(CCO)CC4)n3)cc21.CC1=CCc2ncc(-c3cncc(N4CCOCC4)n3)cc21.CC1=CCc2ncc(B3OC(C)(C)C(C)(C)O3)cc21
InChIInChI=1S/C20H24N4O.C20H24N4.C19H23N5O.C18H21N5.C17H18N4O.C15H20BNO2/c1-14-3-4-18-17(14)9-16(10-22-18)19-11-21-12-20(23-19)24(2)13-15-5-7-25-8-6-15;1-14-3-4-19-18(14)10-16(11-22-19)20-13-21-12-17(23-20)9-15-5-7-24(2)8-6-15;1-14-2-3-17-16(14)10-15(11-21-17)18-12-20-13-19(22-18)24-6-4-23(5-7-24)8-9-25;1-13-3-4-16-15(13)9-14(10-20-16)17-11-19-12-18(21-17)23-7-5-22(2)6-8-23;1-12-2-3-15-14(12)8-13(9-19-15)16-10-18-11-17(20-16)21-4-6-22-7-5-21;1-10-6-7-13-12(10)8-11(9-17-13)16-18-14(2,3)15(4,5)19-16/h3,9-12,15H,4-8,13H2,1-2H3;3,10-13,15H,4-9H2,1-2H3;2,10-13,25H,3-9H2,1H3;3,9-12H,4-8H2,1-2H3;2,8-11H,3-7H2,1H3;6,8-9H,7H2,1-5H3
InChIKeyMNLYKLIYEMGMRP-UHFFFAOYSA-N
MW1853.21 g/mol
LogP15.28
Rot. Bonds16
About 4-[6-(5-methyl-7H-cyclopenta[b]pyridin-3-yl)pyrazin-2-yl]morpholine;2-[4-[6-(5-methyl-7H-cyclopenta[b]pyridin-3-yl)pyrazin-2-yl]piperazin-1-yl]ethanol;N-methyl-6-(5-methyl-7H-cyclopenta[b]pyridin-3-yl)-N-(oxan-4-ylmethyl)pyrazin-2-amine;5-methyl-3-[6-(4-methylpiperazin-1-yl)pyrazin-2-yl]-7H-cyclopenta[b]pyridine;5-methyl-3-[6-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]-7H-cyclopenta[b]pyridine;5-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine
4-[6-(5-methyl-7H-cyclopenta[b]pyridin-3-yl)pyrazin-2-yl]morpholine;2-[4-[6-(5-methyl-7H-cyclopenta[b]pyridin-3-yl)pyrazin-2-yl]piperazin-1-yl]ethanol;N-methyl-6-(5-methyl-7H-cyclopenta[b]pyridin-3-yl)-N-(oxan-4-ylmethyl)pyrazin-2-amine;5-methyl-3-[6-(4-methylpiperazin-1-yl)pyrazin-2-yl]-7H-cyclopenta[b]pyridine;5-methyl-3-[6-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]-7H-cyclopenta[b]pyridine;5-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine (PubChem CID 159617564) has the molecular formula C109H130BN23O5 and a molecular weight of 1853.21 g/mol. Its IUPAC name is 4-[6-(5-methyl-7H-cyclopenta[b]pyridin-3-yl)pyrazin-2-yl]morpholine;2-[4-[6-(5-methyl-7H-cyclopenta[b]pyridin-3-yl)pyrazin-2-yl]piperazin-1-yl]ethanol;N-methyl-6-(5-methyl-7H-cyclopenta[b]pyridin-3-yl)-N-(oxan-4-ylmethyl)pyrazin-2-amine;5-methyl-3-[6-(4-methylpiperazin-1-yl)pyrazin-2-yl]-7H-cyclopenta[b]pyridine;5-methyl-3-[6-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]-7H-cyclopenta[b]pyridine;5-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine.
Molecular Properties
| Compound Name | 4-[6-(5-methyl-7H-cyclopenta[b]pyridin-3-yl)pyrazin-2-yl]morpholine;2-[4-[6-(5-methyl-7H-cyclopenta[b]pyridin-3-yl)pyrazin-2-yl]piperazin-1-yl]ethanol;N-methyl-6-(5-methyl-7H-cyclopenta[b]pyridin-3-yl)-N-(oxan-4-ylmethyl)pyrazin-2-amine;5-methyl-3-[6-(4-methylpiperazin-1-yl)pyrazin-2-yl]-7H-cyclopenta[b]pyridine;5-methyl-3-[6-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]-7H-cyclopenta[b]pyridine;5-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine |
|---|---|
| PubChem CID | 159617564 |
| Molecular Formula | C109H130BN23O5 |
| Molecular Weight | 1853.21 g/mol |
| Exact Mass | 1852.07 |
| IUPAC Name | 4-[6-(5-methyl-7H-cyclopenta[b]pyridin-3-yl)pyrazin-2-yl]morpholine;2-[4-[6-(5-methyl-7H-cyclopenta[b]pyridin-3-yl)pyrazin-2-yl]piperazin-1-yl]ethanol;N-methyl-6-(5-methyl-7H-cyclopenta[b]pyridin-3-yl)-N-(oxan-4-ylmethyl)pyrazin-2-amine;5-methyl-3-[6-(4-methylpiperazin-1-yl)pyrazin-2-yl]-7H-cyclopenta[b]pyridine;5-methyl-3-[6-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]-7H-cyclopenta[b]pyridine;5-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine |
| SMILES | CC1=CCc2ncc(-c3cncc(CC4CCN(C)CC4)n3)cc21.CC1=CCc2ncc(-c3cncc(N(C)CC4CCOCC4)n3)cc21.CC1=CCc2ncc(-c3cncc(N4CCN(C)CC4)n3)cc21.CC1=CCc2ncc(-c3cncc(N4CCN(CCO)CC4)n3)cc21.CC1=CCc2ncc(-c3cncc(N4CCOCC4)n3)cc21.CC1=CCc2ncc(B3OC(C)(C)C(C)(C)O3)cc21 |
| InChI | InChI=1S/C20H24N4O.C20H24N4.C19H23N5O.C18H21N5.C17H18N4O.C15H20BNO2/c1-14-3-4-18-17(14)9-16(10-22-18)19-11-21-12-20(23-19)24(2)13-15-5-7-25-8-6-15;1-14-3-4-19-18(14)10-16(11-22-19)20-13-21-12-17(23-20)9-15-5-7-24(2)8-6-15;1-14-2-3-17-16(14)10-15(11-21-17)18-12-20-13-19(22-18)24-6-4-23(5-7-24)8-9-25;1-13-3-4-16-15(13)9-14(10-20-16)17-11-19-12-18(21-17)23-7-5-22(2)6-8-23;1-12-2-3-15-14(12)8-13(9-19-15)16-10-18-11-17(20-16)21-4-6-22-7-5-21;1-10-6-7-13-12(10)8-11(9-17-13)16-18-14(2,3)15(4,5)19-16/h3,9-12,15H,4-8,13H2,1-2H3;3,10-13,15H,4-9H2,1-2H3;2,10-13,25H,3-9H2,1H3;3,9-12H,4-8H2,1-2H3;2,8-11H,3-7H2,1H3;6,8-9H,7H2,1-5H3 |
| InChIKey | MNLYKLIYEMGMRP-UHFFFAOYSA-N |
| XLogP | 15.28 |
| TPSA | 286.07 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 138 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1853.21 |
| LogP ≤ 5 | 15.28 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 28 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of 4-[6-(5-methyl-7H-cyclopenta[b]pyridin-3-yl)pyrazin-2-yl]morpholine;2-[4-[6-(5-methyl-7H-cyclopenta[b]pyridin-3-yl)pyrazin-2-yl]piperazin-1-yl]ethanol;N-methyl-6-(5-methyl-7H-cyclopenta[b]pyridin-3-yl)-N-(oxan-4-ylmethyl)pyrazin-2-amine;5-methyl-3-[6-(4-methylpiperazin-1-yl)pyrazin-2-yl]-7H-cyclopenta[b]pyridine;5-methyl-3-[6-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]-7H-cyclopenta[b]pyridine;5-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine?
The IUPAC name of 4-[6-(5-methyl-7H-cyclopenta[b]pyridin-3-yl)pyrazin-2-yl]morpholine;2-[4-[6-(5-methyl-7H-cyclopenta[b]pyridin-3-yl)pyrazin-2-yl]piperazin-1-yl]ethanol;N-methyl-6-(5-methyl-7H-cyclopenta[b]pyridin-3-yl)-N-(oxan-4-ylmethyl)pyrazin-2-amine;5-methyl-3-[6-(4-methylpiperazin-1-yl)pyrazin-2-yl]-7H-cyclopenta[b]pyridine;5-methyl-3-[6-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]-7H-cyclopenta[b]pyridine;5-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine (CID 159617564) is 4-[6-(5-methyl-7H-cyclopenta[b]pyridin-3-yl)pyrazin-2-yl]morpholine;2-[4-[6-(5-methyl-7H-cyclopenta[b]pyridin-3-yl)pyrazin-2-yl]piperazin-1-yl]ethanol;N-methyl-6-(5-methyl-7H-cyclopenta[b]pyridin-3-yl)-N-(oxan-4-ylmethyl)pyrazin-2-amine;5-methyl-3-[6-(4-methylpiperazin-1-yl)pyrazin-2-yl]-7H-cyclopenta[b]pyridine;5-methyl-3-[6-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]-7H-cyclopenta[b]pyridine;5-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine.
What is the SMILES notation for 4-[6-(5-methyl-7H-cyclopenta[b]pyridin-3-yl)pyrazin-2-yl]morpholine;2-[4-[6-(5-methyl-7H-cyclopenta[b]pyridin-3-yl)pyrazin-2-yl]piperazin-1-yl]ethanol;N-methyl-6-(5-methyl-7H-cyclopenta[b]pyridin-3-yl)-N-(oxan-4-ylmethyl)pyrazin-2-amine;5-methyl-3-[6-(4-methylpiperazin-1-yl)pyrazin-2-yl]-7H-cyclopenta[b]pyridine;5-methyl-3-[6-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]-7H-cyclopenta[b]pyridine;5-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine?
The canonical SMILES for 4-[6-(5-methyl-7H-cyclopenta[b]pyridin-3-yl)pyrazin-2-yl]morpholine;2-[4-[6-(5-methyl-7H-cyclopenta[b]pyridin-3-yl)pyrazin-2-yl]piperazin-1-yl]ethanol;N-methyl-6-(5-methyl-7H-cyclopenta[b]pyridin-3-yl)-N-(oxan-4-ylmethyl)pyrazin-2-amine;5-methyl-3-[6-(4-methylpiperazin-1-yl)pyrazin-2-yl]-7H-cyclopenta[b]pyridine;5-methyl-3-[6-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]-7H-cyclopenta[b]pyridine;5-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine is CC1=CCc2ncc(-c3cncc(CC4CCN(C)CC4)n3)cc21.CC1=CCc2ncc(-c3cncc(N(C)CC4CCOCC4)n3)cc21.CC1=CCc2ncc(-c3cncc(N4CCN(C)CC4)n3)cc21.CC1=CCc2ncc(-c3cncc(N4CCN(CCO)CC4)n3)cc21.CC1=CCc2ncc(-c3cncc(N4CCOCC4)n3)cc21.CC1=CCc2ncc(B3OC(C)(C)C(C)(C)O3)cc21.
What is the InChIKey of 4-[6-(5-methyl-7H-cyclopenta[b]pyridin-3-yl)pyrazin-2-yl]morpholine;2-[4-[6-(5-methyl-7H-cyclopenta[b]pyridin-3-yl)pyrazin-2-yl]piperazin-1-yl]ethanol;N-methyl-6-(5-methyl-7H-cyclopenta[b]pyridin-3-yl)-N-(oxan-4-ylmethyl)pyrazin-2-amine;5-methyl-3-[6-(4-methylpiperazin-1-yl)pyrazin-2-yl]-7H-cyclopenta[b]pyridine;5-methyl-3-[6-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]-7H-cyclopenta[b]pyridine;5-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine?
The InChIKey is MNLYKLIYEMGMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O.C20H24N4.C19H23N5O.C18H21N5.C17H18N4O.C15H20BNO2/c1-14-3-4-18-17(14)9-16(10-22-18)19-11-21-12-20(23-19)24(2)13-15-5-7-25-8-6-15;1-14-3-4-19-18(14)10-16(11-22-19)20-13-21-12-17(23-20)9-15-5-7-24(2)8-6-15;1-14-2-3-17-16(14)10-15(11-21-17)18-12-20-13-19(22-18)24-6-4-23(5-7-24)8-9-25;1-13-3-4-16-15(13)9-14(10-20-16)17-11-19-12-18(21-17)23-7-5-22(2)6-8-23;1-12-2-3-15-14(12)8-13(9-19-15)16-10-18-11-17(20-16)21-4-6-22-7-5-21;1-10-6-7-13-12(10)8-11(9-17-13)16-18-14(2,3)15(4,5)19-16/h3,9-12,15H,4-8,13H2,1-2H3;3,10-13,15H,4-9H2,1-2H3;2,10-13,25H,3-9H2,1H3;3,9-12H,4-8H2,1-2H3;2,8-11H,3-7H2,1H3;6,8-9H,7H2,1-5H3.
What are the key properties of 4-[6-(5-methyl-7H-cyclopenta[b]pyridin-3-yl)pyrazin-2-yl]morpholine;2-[4-[6-(5-methyl-7H-cyclopenta[b]pyridin-3-yl)pyrazin-2-yl]piperazin-1-yl]ethanol;N-methyl-6-(5-methyl-7H-cyclopenta[b]pyridin-3-yl)-N-(oxan-4-ylmethyl)pyrazin-2-amine;5-methyl-3-[6-(4-methylpiperazin-1-yl)pyrazin-2-yl]-7H-cyclopenta[b]pyridine;5-methyl-3-[6-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]-7H-cyclopenta[b]pyridine;5-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine?
4-[6-(5-methyl-7H-cyclopenta[b]pyridin-3-yl)pyrazin-2-yl]morpholine;2-[4-[6-(5-methyl-7H-cyclopenta[b]pyridin-3-yl)pyrazin-2-yl]piperazin-1-yl]ethanol;N-methyl-6-(5-methyl-7H-cyclopenta[b]pyridin-3-yl)-N-(oxan-4-ylmethyl)pyrazin-2-amine;5-methyl-3-[6-(4-methylpiperazin-1-yl)pyrazin-2-yl]-7H-cyclopenta[b]pyridine;5-methyl-3-[6-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]-7H-cyclopenta[b]pyridine;5-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine has a molecular weight of 1853.21 g/mol, XLogP of 15.28, 16 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(5-methyl-7H-cyclopenta[b]pyridin-3-yl)pyrazin-2-yl]morpholine;2-[4-[6-(5-methyl-7H-cyclopenta[b]pyridin-3-yl)pyrazin-2-yl]piperazin-1-yl]ethanol;N-methyl-6-(5-methyl-7H-cyclopenta[b]pyridin-3-yl)-N-(oxan-4-ylmethyl)pyrazin-2-amine;5-methyl-3-[6-(4-methylpiperazin-1-yl)pyrazin-2-yl]-7H-cyclopenta[b]pyridine;5-methyl-3-[6-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]-7H-cyclopenta[b]pyridine;5-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine is sourced from PubChem (CID 159617564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159617564 — identifiers, structure, computed properties (public domain)
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