4-cyclohexyloxy-3-methyl-2H-pyrazolo[4,3-c]pyridine;4-cyclopentyloxy-3-methyl-2H-pyrazolo[4,3-c]pyridine;4-(3-fluorophenoxy)-3-methyl-2H-pyrazolo[4,3-c]pyridine;3-methyl-4-(1-methylpiperidin-4-yl)oxy-2H-pyrazolo[4,3-c]pyridine;[4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]phenyl]-morpholin-4-ylmethanone;[4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]phenyl]-pyrrolidin-1-ylmethanone
C87H98FN23O7 — CID 158008651
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC4-cyclohexyloxy-3-methyl-2H-pyrazolo[4,3-c]pyridine;4-cyclopentyloxy-3-methyl-2H-pyrazolo[4,3-c]pyridine;4-(3-fluorophenoxy)-3-methyl-2H-pyrazolo[4,3-c]pyridine;3-methyl-4-(1-methylpiperidin-4-yl)oxy-2H-pyrazolo[4,3-c]pyridine;[4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]phenyl]-morpholin-4-ylmethanone;[4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]phenyl]-pyrrolidin-1-ylmethanone
SMILESCc1[nH]nc2ccnc(Nc3ccc(C(=O)N4CCCC4)cc3)c12.Cc1[nH]nc2ccnc(Nc3ccc(C(=O)N4CCOCC4)cc3)c12.Cc1[nH]nc2ccnc(OC3CCCC3)c12.Cc1[nH]nc2ccnc(OC3CCCCC3)c12.Cc1[nH]nc2ccnc(OC3CCN(C)CC3)c12.Cc1[nH]nc2ccnc(Oc3cccc(F)c3)c12
InChIInChI=1S/C18H19N5O2.C18H19N5O.C13H10FN3O.C13H18N4O.C13H17N3O.C12H15N3O/c1-12-16-15(22-21-12)6-7-19-17(16)20-14-4-2-13(3-5-14)18(24)23-8-10-25-11-9-23;1-12-16-15(22-21-12)8-9-19-17(16)20-14-6-4-13(5-7-14)18(24)23-10-2-3-11-23;1-8-12-11(17-16-8)5-6-15-13(12)18-10-4-2-3-9(14)7-10;1-9-12-11(16-15-9)3-6-14-13(12)18-10-4-7-17(2)8-5-10;1-9-12-11(16-15-9)7-8-14-13(12)17-10-5-3-2-4-6-10;1-8-11-10(15-14-8)6-7-13-12(11)16-9-4-2-3-5-9/h2-7H,8-11H2,1H3,(H,19,20)(H,21,22);4-9H,2-3,10-11H2,1H3,(H,19,20)(H,21,22);2-7H,1H3,(H,16,17);3,6,10H,4-5,7-8H2,1-2H3,(H,15,16);7-8,10H,2-6H2,1H3,(H,15,16);6-7,9H,2-5H2,1H3,(H,14,15)
InChIKeyFEPPKXQMNBACLP-UHFFFAOYSA-N
MW1596.89 g/mol
LogP16.23
Rot. Bonds14
About 4-cyclohexyloxy-3-methyl-2H-pyrazolo[4,3-c]pyridine;4-cyclopentyloxy-3-methyl-2H-pyrazolo[4,3-c]pyridine;4-(3-fluorophenoxy)-3-methyl-2H-pyrazolo[4,3-c]pyridine;3-methyl-4-(1-methylpiperidin-4-yl)oxy-2H-pyrazolo[4,3-c]pyridine;[4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]phenyl]-morpholin-4-ylmethanone;[4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]phenyl]-pyrrolidin-1-ylmethanone
4-cyclohexyloxy-3-methyl-2H-pyrazolo[4,3-c]pyridine;4-cyclopentyloxy-3-methyl-2H-pyrazolo[4,3-c]pyridine;4-(3-fluorophenoxy)-3-methyl-2H-pyrazolo[4,3-c]pyridine;3-methyl-4-(1-methylpiperidin-4-yl)oxy-2H-pyrazolo[4,3-c]pyridine;[4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]phenyl]-morpholin-4-ylmethanone;[4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 158008651) has the molecular formula C87H98FN23O7 and a molecular weight of 1596.89 g/mol. Its IUPAC name is 4-cyclohexyloxy-3-methyl-2H-pyrazolo[4,3-c]pyridine;4-cyclopentyloxy-3-methyl-2H-pyrazolo[4,3-c]pyridine;4-(3-fluorophenoxy)-3-methyl-2H-pyrazolo[4,3-c]pyridine;3-methyl-4-(1-methylpiperidin-4-yl)oxy-2H-pyrazolo[4,3-c]pyridine;[4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]phenyl]-morpholin-4-ylmethanone;[4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]phenyl]-pyrrolidin-1-ylmethanone.
Molecular Properties
| Compound Name | 4-cyclohexyloxy-3-methyl-2H-pyrazolo[4,3-c]pyridine;4-cyclopentyloxy-3-methyl-2H-pyrazolo[4,3-c]pyridine;4-(3-fluorophenoxy)-3-methyl-2H-pyrazolo[4,3-c]pyridine;3-methyl-4-(1-methylpiperidin-4-yl)oxy-2H-pyrazolo[4,3-c]pyridine;[4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]phenyl]-morpholin-4-ylmethanone;[4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]phenyl]-pyrrolidin-1-ylmethanone |
|---|---|
| PubChem CID | 158008651 |
| Molecular Formula | C87H98FN23O7 |
| Molecular Weight | 1596.89 g/mol |
| Exact Mass | 1595.80 |
| IUPAC Name | 4-cyclohexyloxy-3-methyl-2H-pyrazolo[4,3-c]pyridine;4-cyclopentyloxy-3-methyl-2H-pyrazolo[4,3-c]pyridine;4-(3-fluorophenoxy)-3-methyl-2H-pyrazolo[4,3-c]pyridine;3-methyl-4-(1-methylpiperidin-4-yl)oxy-2H-pyrazolo[4,3-c]pyridine;[4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]phenyl]-morpholin-4-ylmethanone;[4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]phenyl]-pyrrolidin-1-ylmethanone |
| SMILES | Cc1[nH]nc2ccnc(Nc3ccc(C(=O)N4CCCC4)cc3)c12.Cc1[nH]nc2ccnc(Nc3ccc(C(=O)N4CCOCC4)cc3)c12.Cc1[nH]nc2ccnc(OC3CCCC3)c12.Cc1[nH]nc2ccnc(OC3CCCCC3)c12.Cc1[nH]nc2ccnc(OC3CCN(C)CC3)c12.Cc1[nH]nc2ccnc(Oc3cccc(F)c3)c12 |
| InChI | InChI=1S/C18H19N5O2.C18H19N5O.C13H10FN3O.C13H18N4O.C13H17N3O.C12H15N3O/c1-12-16-15(22-21-12)6-7-19-17(16)20-14-4-2-13(3-5-14)18(24)23-8-10-25-11-9-23;1-12-16-15(22-21-12)8-9-19-17(16)20-14-6-4-13(5-7-14)18(24)23-10-2-3-11-23;1-8-12-11(17-16-8)5-6-15-13(12)18-10-4-2-3-9(14)7-10;1-9-12-11(16-15-9)3-6-14-13(12)18-10-4-7-17(2)8-5-10;1-9-12-11(16-15-9)7-8-14-13(12)17-10-5-3-2-4-6-10;1-8-11-10(15-14-8)6-7-13-12(11)16-9-4-2-3-5-9/h2-7H,8-11H2,1H3,(H,19,20)(H,21,22);4-9H,2-3,10-11H2,1H3,(H,19,20)(H,21,22);2-7H,1H3,(H,16,17);3,6,10H,4-5,7-8H2,1-2H3,(H,15,16);7-8,10H,2-6H2,1H3,(H,15,16);6-7,9H,2-5H2,1H3,(H,14,15) |
| InChIKey | FEPPKXQMNBACLP-UHFFFAOYSA-N |
| XLogP | 16.23 |
| TPSA | 363.49 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 118 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1596.89 |
| LogP ≤ 5 | 16.23 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 22 |
Frequently Asked Questions
What is the IUPAC name of 4-cyclohexyloxy-3-methyl-2H-pyrazolo[4,3-c]pyridine;4-cyclopentyloxy-3-methyl-2H-pyrazolo[4,3-c]pyridine;4-(3-fluorophenoxy)-3-methyl-2H-pyrazolo[4,3-c]pyridine;3-methyl-4-(1-methylpiperidin-4-yl)oxy-2H-pyrazolo[4,3-c]pyridine;[4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]phenyl]-morpholin-4-ylmethanone;[4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of 4-cyclohexyloxy-3-methyl-2H-pyrazolo[4,3-c]pyridine;4-cyclopentyloxy-3-methyl-2H-pyrazolo[4,3-c]pyridine;4-(3-fluorophenoxy)-3-methyl-2H-pyrazolo[4,3-c]pyridine;3-methyl-4-(1-methylpiperidin-4-yl)oxy-2H-pyrazolo[4,3-c]pyridine;[4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]phenyl]-morpholin-4-ylmethanone;[4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]phenyl]-pyrrolidin-1-ylmethanone (CID 158008651) is 4-cyclohexyloxy-3-methyl-2H-pyrazolo[4,3-c]pyridine;4-cyclopentyloxy-3-methyl-2H-pyrazolo[4,3-c]pyridine;4-(3-fluorophenoxy)-3-methyl-2H-pyrazolo[4,3-c]pyridine;3-methyl-4-(1-methylpiperidin-4-yl)oxy-2H-pyrazolo[4,3-c]pyridine;[4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]phenyl]-morpholin-4-ylmethanone;[4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for 4-cyclohexyloxy-3-methyl-2H-pyrazolo[4,3-c]pyridine;4-cyclopentyloxy-3-methyl-2H-pyrazolo[4,3-c]pyridine;4-(3-fluorophenoxy)-3-methyl-2H-pyrazolo[4,3-c]pyridine;3-methyl-4-(1-methylpiperidin-4-yl)oxy-2H-pyrazolo[4,3-c]pyridine;[4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]phenyl]-morpholin-4-ylmethanone;[4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for 4-cyclohexyloxy-3-methyl-2H-pyrazolo[4,3-c]pyridine;4-cyclopentyloxy-3-methyl-2H-pyrazolo[4,3-c]pyridine;4-(3-fluorophenoxy)-3-methyl-2H-pyrazolo[4,3-c]pyridine;3-methyl-4-(1-methylpiperidin-4-yl)oxy-2H-pyrazolo[4,3-c]pyridine;[4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]phenyl]-morpholin-4-ylmethanone;[4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]phenyl]-pyrrolidin-1-ylmethanone is Cc1[nH]nc2ccnc(Nc3ccc(C(=O)N4CCCC4)cc3)c12.Cc1[nH]nc2ccnc(Nc3ccc(C(=O)N4CCOCC4)cc3)c12.Cc1[nH]nc2ccnc(OC3CCCC3)c12.Cc1[nH]nc2ccnc(OC3CCCCC3)c12.Cc1[nH]nc2ccnc(OC3CCN(C)CC3)c12.Cc1[nH]nc2ccnc(Oc3cccc(F)c3)c12.
What is the InChIKey of 4-cyclohexyloxy-3-methyl-2H-pyrazolo[4,3-c]pyridine;4-cyclopentyloxy-3-methyl-2H-pyrazolo[4,3-c]pyridine;4-(3-fluorophenoxy)-3-methyl-2H-pyrazolo[4,3-c]pyridine;3-methyl-4-(1-methylpiperidin-4-yl)oxy-2H-pyrazolo[4,3-c]pyridine;[4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]phenyl]-morpholin-4-ylmethanone;[4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is FEPPKXQMNBACLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2.C18H19N5O.C13H10FN3O.C13H18N4O.C13H17N3O.C12H15N3O/c1-12-16-15(22-21-12)6-7-19-17(16)20-14-4-2-13(3-5-14)18(24)23-8-10-25-11-9-23;1-12-16-15(22-21-12)8-9-19-17(16)20-14-6-4-13(5-7-14)18(24)23-10-2-3-11-23;1-8-12-11(17-16-8)5-6-15-13(12)18-10-4-2-3-9(14)7-10;1-9-12-11(16-15-9)3-6-14-13(12)18-10-4-7-17(2)8-5-10;1-9-12-11(16-15-9)7-8-14-13(12)17-10-5-3-2-4-6-10;1-8-11-10(15-14-8)6-7-13-12(11)16-9-4-2-3-5-9/h2-7H,8-11H2,1H3,(H,19,20)(H,21,22);4-9H,2-3,10-11H2,1H3,(H,19,20)(H,21,22);2-7H,1H3,(H,16,17);3,6,10H,4-5,7-8H2,1-2H3,(H,15,16);7-8,10H,2-6H2,1H3,(H,15,16);6-7,9H,2-5H2,1H3,(H,14,15).
What are the key properties of 4-cyclohexyloxy-3-methyl-2H-pyrazolo[4,3-c]pyridine;4-cyclopentyloxy-3-methyl-2H-pyrazolo[4,3-c]pyridine;4-(3-fluorophenoxy)-3-methyl-2H-pyrazolo[4,3-c]pyridine;3-methyl-4-(1-methylpiperidin-4-yl)oxy-2H-pyrazolo[4,3-c]pyridine;[4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]phenyl]-morpholin-4-ylmethanone;[4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]phenyl]-pyrrolidin-1-ylmethanone?
4-cyclohexyloxy-3-methyl-2H-pyrazolo[4,3-c]pyridine;4-cyclopentyloxy-3-methyl-2H-pyrazolo[4,3-c]pyridine;4-(3-fluorophenoxy)-3-methyl-2H-pyrazolo[4,3-c]pyridine;3-methyl-4-(1-methylpiperidin-4-yl)oxy-2H-pyrazolo[4,3-c]pyridine;[4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]phenyl]-morpholin-4-ylmethanone;[4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 1596.89 g/mol, XLogP of 16.23, 14 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyloxy-3-methyl-2H-pyrazolo[4,3-c]pyridine;4-cyclopentyloxy-3-methyl-2H-pyrazolo[4,3-c]pyridine;4-(3-fluorophenoxy)-3-methyl-2H-pyrazolo[4,3-c]pyridine;3-methyl-4-(1-methylpiperidin-4-yl)oxy-2H-pyrazolo[4,3-c]pyridine;[4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]phenyl]-morpholin-4-ylmethanone;[4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 158008651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158008651 — identifiers, structure, computed properties (public domain)
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