2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-1-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethanone;2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone;2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-N-(1-methylpiperidin-4-yl)acetamide;2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-N-[(1-methylpiperidin-4-yl)methyl]acetamide
C96H116Cl4N24O8 — CID 157068834
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-1-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethanone;2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone;2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-N-(1-methylpiperidin-4-yl)acetamide;2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-N-[(1-methylpiperidin-4-yl)methyl]acetamide
SMILESCN(C)[C@H]1CCN(C(=O)CC2COCCN2c2nn(-c3ccc(Cl)cc3)c3cnccc23)C1.CN1CCC(CNC(=O)CC2COCCN2c2nn(-c3ccc(Cl)cc3)c3cnccc23)CC1.CN1CCC(NC(=O)CC2COCCN2c2nn(-c3ccc(Cl)cc3)c3cnccc23)CC1.CN1CCN(C(=O)CC2COCCN2c2nn(-c3ccc(Cl)cc3)c3cnccc23)CC1
InChIInChI=1S/C25H31ClN6O2.2C24H29ClN6O2.C23H27ClN6O2/c1-30-10-7-18(8-11-30)15-28-24(33)14-21-17-34-13-12-31(21)25-22-6-9-27-16-23(22)32(29-25)20-4-2-19(26)3-5-20;1-28(2)19-8-10-29(15-19)23(32)13-20-16-33-12-11-30(20)24-21-7-9-26-14-22(21)31(27-24)18-5-3-17(25)4-6-18;1-29-10-7-18(8-11-29)27-23(32)14-20-16-33-13-12-30(20)24-21-6-9-26-15-22(21)31(28-24)19-4-2-17(25)3-5-19;1-27-8-10-28(11-9-27)22(31)14-19-16-32-13-12-29(19)23-20-6-7-25-15-21(20)30(26-23)18-4-2-17(24)3-5-18/h2-6,9,16,18,21H,7-8,10-15,17H2,1H3,(H,28,33);3-7,9,14,19-20H,8,10-13,15-16H2,1-2H3;2-6,9,15,18,20H,7-8,10-14,16H2,1H3,(H,27,32);2-7,15,19H,8-14,16H2,1H3/t;19-,20?;;/m.0../s1
InChIKeyACEPGFQYAVHKHG-RAKFZVCBSA-N
MW1875.96 g/mol
LogP11.28
Rot. Bonds20
About 2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-1-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethanone;2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone;2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-N-(1-methylpiperidin-4-yl)acetamide;2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-N-[(1-methylpiperidin-4-yl)methyl]acetamide
2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-1-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethanone;2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone;2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-N-(1-methylpiperidin-4-yl)acetamide;2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-N-[(1-methylpiperidin-4-yl)methyl]acetamide (PubChem CID 157068834) has the molecular formula C96H116Cl4N24O8 and a molecular weight of 1875.96 g/mol. Its IUPAC name is 2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-1-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethanone;2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone;2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-N-(1-methylpiperidin-4-yl)acetamide;2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-N-[(1-methylpiperidin-4-yl)methyl]acetamide.
Molecular Properties
| Compound Name | 2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-1-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethanone;2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone;2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-N-(1-methylpiperidin-4-yl)acetamide;2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-N-[(1-methylpiperidin-4-yl)methyl]acetamide |
|---|---|
| PubChem CID | 157068834 |
| Molecular Formula | C96H116Cl4N24O8 |
| Molecular Weight | 1875.96 g/mol |
| Exact Mass | 1872.82 |
| IUPAC Name | 2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-1-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethanone;2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone;2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-N-(1-methylpiperidin-4-yl)acetamide;2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-N-[(1-methylpiperidin-4-yl)methyl]acetamide |
| SMILES | CN(C)[C@H]1CCN(C(=O)CC2COCCN2c2nn(-c3ccc(Cl)cc3)c3cnccc23)C1.CN1CCC(CNC(=O)CC2COCCN2c2nn(-c3ccc(Cl)cc3)c3cnccc23)CC1.CN1CCC(NC(=O)CC2COCCN2c2nn(-c3ccc(Cl)cc3)c3cnccc23)CC1.CN1CCN(C(=O)CC2COCCN2c2nn(-c3ccc(Cl)cc3)c3cnccc23)CC1 |
| InChI | InChI=1S/C25H31ClN6O2.2C24H29ClN6O2.C23H27ClN6O2/c1-30-10-7-18(8-11-30)15-28-24(33)14-21-17-34-13-12-31(21)25-22-6-9-27-16-23(22)32(29-25)20-4-2-19(26)3-5-20;1-28(2)19-8-10-29(15-19)23(32)13-20-16-33-12-11-30(20)24-21-7-9-26-14-22(21)31(27-24)18-5-3-17(25)4-6-18;1-29-10-7-18(8-11-29)27-23(32)14-20-16-33-13-12-30(20)24-21-6-9-26-15-22(21)31(28-24)19-4-2-17(25)3-5-19;1-27-8-10-28(11-9-27)22(31)14-19-16-32-13-12-29(19)23-20-6-7-25-15-21(20)30(26-23)18-4-2-17(24)3-5-18/h2-6,9,16,18,21H,7-8,10-15,17H2,1H3,(H,28,33);3-7,9,14,19-20H,8,10-13,15-16H2,1-2H3;2-6,9,15,18,20H,7-8,10-14,16H2,1H3,(H,27,32);2-7,15,19H,8-14,16H2,1H3/t;19-,20?;;/m.0../s1 |
| InChIKey | ACEPGFQYAVHKHG-RAKFZVCBSA-N |
| XLogP | 11.28 |
| TPSA | 284.50 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 132 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1875.96 |
| LogP ≤ 5 | 11.28 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 28 |
Frequently Asked Questions
What is the IUPAC name of 2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-1-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethanone;2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone;2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-N-(1-methylpiperidin-4-yl)acetamide;2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-N-[(1-methylpiperidin-4-yl)methyl]acetamide?
The IUPAC name of 2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-1-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethanone;2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone;2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-N-(1-methylpiperidin-4-yl)acetamide;2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-N-[(1-methylpiperidin-4-yl)methyl]acetamide (CID 157068834) is 2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-1-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethanone;2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone;2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-N-(1-methylpiperidin-4-yl)acetamide;2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-N-[(1-methylpiperidin-4-yl)methyl]acetamide.
What is the SMILES notation for 2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-1-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethanone;2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone;2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-N-(1-methylpiperidin-4-yl)acetamide;2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-N-[(1-methylpiperidin-4-yl)methyl]acetamide?
The canonical SMILES for 2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-1-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethanone;2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone;2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-N-(1-methylpiperidin-4-yl)acetamide;2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-N-[(1-methylpiperidin-4-yl)methyl]acetamide is CN(C)[C@H]1CCN(C(=O)CC2COCCN2c2nn(-c3ccc(Cl)cc3)c3cnccc23)C1.CN1CCC(CNC(=O)CC2COCCN2c2nn(-c3ccc(Cl)cc3)c3cnccc23)CC1.CN1CCC(NC(=O)CC2COCCN2c2nn(-c3ccc(Cl)cc3)c3cnccc23)CC1.CN1CCN(C(=O)CC2COCCN2c2nn(-c3ccc(Cl)cc3)c3cnccc23)CC1.
What is the InChIKey of 2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-1-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethanone;2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone;2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-N-(1-methylpiperidin-4-yl)acetamide;2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-N-[(1-methylpiperidin-4-yl)methyl]acetamide?
The InChIKey is ACEPGFQYAVHKHG-RAKFZVCBSA-N. The full InChI is InChI=1S/C25H31ClN6O2.2C24H29ClN6O2.C23H27ClN6O2/c1-30-10-7-18(8-11-30)15-28-24(33)14-21-17-34-13-12-31(21)25-22-6-9-27-16-23(22)32(29-25)20-4-2-19(26)3-5-20;1-28(2)19-8-10-29(15-19)23(32)13-20-16-33-12-11-30(20)24-21-7-9-26-14-22(21)31(27-24)18-5-3-17(25)4-6-18;1-29-10-7-18(8-11-29)27-23(32)14-20-16-33-13-12-30(20)24-21-6-9-26-15-22(21)31(28-24)19-4-2-17(25)3-5-19;1-27-8-10-28(11-9-27)22(31)14-19-16-32-13-12-29(19)23-20-6-7-25-15-21(20)30(26-23)18-4-2-17(24)3-5-18/h2-6,9,16,18,21H,7-8,10-15,17H2,1H3,(H,28,33);3-7,9,14,19-20H,8,10-13,15-16H2,1-2H3;2-6,9,15,18,20H,7-8,10-14,16H2,1H3,(H,27,32);2-7,15,19H,8-14,16H2,1H3/t;19-,20?;;/m.0../s1.
What are the key properties of 2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-1-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethanone;2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone;2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-N-(1-methylpiperidin-4-yl)acetamide;2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-N-[(1-methylpiperidin-4-yl)methyl]acetamide?
2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-1-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethanone;2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone;2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-N-(1-methylpiperidin-4-yl)acetamide;2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-N-[(1-methylpiperidin-4-yl)methyl]acetamide has a molecular weight of 1875.96 g/mol, XLogP of 11.28, 20 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-1-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethanone;2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone;2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-N-(1-methylpiperidin-4-yl)acetamide;2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-N-[(1-methylpiperidin-4-yl)methyl]acetamide is sourced from PubChem (CID 157068834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 157068834 — identifiers, structure, computed properties (public domain)
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