3-(2-chlorophenyl)-N-cyclohexyl-1H-pyrazolo[4,3-c]pyridin-4-amine;3-(3-chlorophenyl)-N-cyclohexyl-1H-pyrazolo[4,3-c]pyridin-4-amine;3-(4-chlorophenyl)-N-cyclohexyl-1H-pyrazolo[4,3-c]pyridin-4-amine;N-cyclohexyl-3-(furan-3-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine;N-cyclohexyl-3-(3-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-4-amine;N-cyclohexyl-3-(4-methylphenyl)-1H-pyrazolo[4,3-c]pyridin-4-amine
C108H119Cl3N24O2 — CID 158709413
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC3-(2-chlorophenyl)-N-cyclohexyl-1H-pyrazolo[4,3-c]pyridin-4-amine;3-(3-chlorophenyl)-N-cyclohexyl-1H-pyrazolo[4,3-c]pyridin-4-amine;3-(4-chlorophenyl)-N-cyclohexyl-1H-pyrazolo[4,3-c]pyridin-4-amine;N-cyclohexyl-3-(furan-3-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine;N-cyclohexyl-3-(3-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-4-amine;N-cyclohexyl-3-(4-methylphenyl)-1H-pyrazolo[4,3-c]pyridin-4-amine
SMILESCOc1cccc(-c2n[nH]c3ccnc(NC4CCCCC4)c23)c1.Cc1ccc(-c2n[nH]c3ccnc(NC4CCCCC4)c23)cc1.Clc1ccc(-c2n[nH]c3ccnc(NC4CCCCC4)c23)cc1.Clc1cccc(-c2n[nH]c3ccnc(NC4CCCCC4)c23)c1.Clc1ccccc1-c1n[nH]c2ccnc(NC3CCCCC3)c12.c1cc2[nH]nc(-c3ccoc3)c2c(NC2CCCCC2)n1
InChIInChI=1S/C19H22N4O.C19H22N4.3C18H19ClN4.C16H18N4O/c1-24-15-9-5-6-13(12-15)18-17-16(22-23-18)10-11-20-19(17)21-14-7-3-2-4-8-14;1-13-7-9-14(10-8-13)18-17-16(22-23-18)11-12-20-19(17)21-15-5-3-2-4-6-15;19-13-6-4-5-12(11-13)17-16-15(22-23-17)9-10-20-18(16)21-14-7-2-1-3-8-14;19-14-9-5-4-8-13(14)17-16-15(22-23-17)10-11-20-18(16)21-12-6-2-1-3-7-12;19-13-8-6-12(7-9-13)17-16-15(22-23-17)10-11-20-18(16)21-14-4-2-1-3-5-14;1-2-4-12(5-3-1)18-16-14-13(6-8-17-16)19-20-15(14)11-7-9-21-10-11/h5-6,9-12,14H,2-4,7-8H2,1H3,(H,20,21)(H,22,23);7-12,15H,2-6H2,1H3,(H,20,21)(H,22,23);4-6,9-11,14H,1-3,7-8H2,(H,20,21)(H,22,23);4-5,8-12H,1-3,6-7H2,(H,20,21)(H,22,23);6-11,14H,1-5H2,(H,20,21)(H,22,23);6-10,12H,1-5H2,(H,17,18)(H,19,20)
InChIKeyIINMVQXNABUOHO-UHFFFAOYSA-N
MW1891.66 g/mol
LogP28.09
Rot. Bonds19
About 3-(2-chlorophenyl)-N-cyclohexyl-1H-pyrazolo[4,3-c]pyridin-4-amine;3-(3-chlorophenyl)-N-cyclohexyl-1H-pyrazolo[4,3-c]pyridin-4-amine;3-(4-chlorophenyl)-N-cyclohexyl-1H-pyrazolo[4,3-c]pyridin-4-amine;N-cyclohexyl-3-(furan-3-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine;N-cyclohexyl-3-(3-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-4-amine;N-cyclohexyl-3-(4-methylphenyl)-1H-pyrazolo[4,3-c]pyridin-4-amine
3-(2-chlorophenyl)-N-cyclohexyl-1H-pyrazolo[4,3-c]pyridin-4-amine;3-(3-chlorophenyl)-N-cyclohexyl-1H-pyrazolo[4,3-c]pyridin-4-amine;3-(4-chlorophenyl)-N-cyclohexyl-1H-pyrazolo[4,3-c]pyridin-4-amine;N-cyclohexyl-3-(furan-3-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine;N-cyclohexyl-3-(3-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-4-amine;N-cyclohexyl-3-(4-methylphenyl)-1H-pyrazolo[4,3-c]pyridin-4-amine (PubChem CID 158709413) has the molecular formula C108H119Cl3N24O2 and a molecular weight of 1891.66 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-cyclohexyl-1H-pyrazolo[4,3-c]pyridin-4-amine;3-(3-chlorophenyl)-N-cyclohexyl-1H-pyrazolo[4,3-c]pyridin-4-amine;3-(4-chlorophenyl)-N-cyclohexyl-1H-pyrazolo[4,3-c]pyridin-4-amine;N-cyclohexyl-3-(furan-3-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine;N-cyclohexyl-3-(3-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-4-amine;N-cyclohexyl-3-(4-methylphenyl)-1H-pyrazolo[4,3-c]pyridin-4-amine.
Molecular Properties
| Compound Name | 3-(2-chlorophenyl)-N-cyclohexyl-1H-pyrazolo[4,3-c]pyridin-4-amine;3-(3-chlorophenyl)-N-cyclohexyl-1H-pyrazolo[4,3-c]pyridin-4-amine;3-(4-chlorophenyl)-N-cyclohexyl-1H-pyrazolo[4,3-c]pyridin-4-amine;N-cyclohexyl-3-(furan-3-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine;N-cyclohexyl-3-(3-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-4-amine;N-cyclohexyl-3-(4-methylphenyl)-1H-pyrazolo[4,3-c]pyridin-4-amine |
|---|---|
| PubChem CID | 158709413 |
| Molecular Formula | C108H119Cl3N24O2 |
| Molecular Weight | 1891.66 g/mol |
| Exact Mass | 1888.90 |
| IUPAC Name | 3-(2-chlorophenyl)-N-cyclohexyl-1H-pyrazolo[4,3-c]pyridin-4-amine;3-(3-chlorophenyl)-N-cyclohexyl-1H-pyrazolo[4,3-c]pyridin-4-amine;3-(4-chlorophenyl)-N-cyclohexyl-1H-pyrazolo[4,3-c]pyridin-4-amine;N-cyclohexyl-3-(furan-3-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine;N-cyclohexyl-3-(3-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-4-amine;N-cyclohexyl-3-(4-methylphenyl)-1H-pyrazolo[4,3-c]pyridin-4-amine |
| SMILES | COc1cccc(-c2n[nH]c3ccnc(NC4CCCCC4)c23)c1.Cc1ccc(-c2n[nH]c3ccnc(NC4CCCCC4)c23)cc1.Clc1ccc(-c2n[nH]c3ccnc(NC4CCCCC4)c23)cc1.Clc1cccc(-c2n[nH]c3ccnc(NC4CCCCC4)c23)c1.Clc1ccccc1-c1n[nH]c2ccnc(NC3CCCCC3)c12.c1cc2[nH]nc(-c3ccoc3)c2c(NC2CCCCC2)n1 |
| InChI | InChI=1S/C19H22N4O.C19H22N4.3C18H19ClN4.C16H18N4O/c1-24-15-9-5-6-13(12-15)18-17-16(22-23-18)10-11-20-19(17)21-14-7-3-2-4-8-14;1-13-7-9-14(10-8-13)18-17-16(22-23-18)11-12-20-19(17)21-15-5-3-2-4-6-15;19-13-6-4-5-12(11-13)17-16-15(22-23-17)9-10-20-18(16)21-14-7-2-1-3-8-14;19-14-9-5-4-8-13(14)17-16-15(22-23-17)10-11-20-18(16)21-12-6-2-1-3-7-12;19-13-8-6-12(7-9-13)17-16-15(22-23-17)10-11-20-18(16)21-14-4-2-1-3-5-14;1-2-4-12(5-3-1)18-16-14-13(6-8-17-16)19-20-15(14)11-7-9-21-10-11/h5-6,9-12,14H,2-4,7-8H2,1H3,(H,20,21)(H,22,23);7-12,15H,2-6H2,1H3,(H,20,21)(H,22,23);4-6,9-11,14H,1-3,7-8H2,(H,20,21)(H,22,23);4-5,8-12H,1-3,6-7H2,(H,20,21)(H,22,23);6-11,14H,1-5H2,(H,20,21)(H,22,23);6-10,12H,1-5H2,(H,17,18)(H,19,20) |
| InChIKey | IINMVQXNABUOHO-UHFFFAOYSA-N |
| XLogP | 28.09 |
| TPSA | 343.97 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 137 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1891.66 |
| LogP ≤ 5 | 28.09 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 20 |
Frequently Asked Questions
What is the IUPAC name of 3-(2-chlorophenyl)-N-cyclohexyl-1H-pyrazolo[4,3-c]pyridin-4-amine;3-(3-chlorophenyl)-N-cyclohexyl-1H-pyrazolo[4,3-c]pyridin-4-amine;3-(4-chlorophenyl)-N-cyclohexyl-1H-pyrazolo[4,3-c]pyridin-4-amine;N-cyclohexyl-3-(furan-3-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine;N-cyclohexyl-3-(3-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-4-amine;N-cyclohexyl-3-(4-methylphenyl)-1H-pyrazolo[4,3-c]pyridin-4-amine?
The IUPAC name of 3-(2-chlorophenyl)-N-cyclohexyl-1H-pyrazolo[4,3-c]pyridin-4-amine;3-(3-chlorophenyl)-N-cyclohexyl-1H-pyrazolo[4,3-c]pyridin-4-amine;3-(4-chlorophenyl)-N-cyclohexyl-1H-pyrazolo[4,3-c]pyridin-4-amine;N-cyclohexyl-3-(furan-3-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine;N-cyclohexyl-3-(3-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-4-amine;N-cyclohexyl-3-(4-methylphenyl)-1H-pyrazolo[4,3-c]pyridin-4-amine (CID 158709413) is 3-(2-chlorophenyl)-N-cyclohexyl-1H-pyrazolo[4,3-c]pyridin-4-amine;3-(3-chlorophenyl)-N-cyclohexyl-1H-pyrazolo[4,3-c]pyridin-4-amine;3-(4-chlorophenyl)-N-cyclohexyl-1H-pyrazolo[4,3-c]pyridin-4-amine;N-cyclohexyl-3-(furan-3-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine;N-cyclohexyl-3-(3-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-4-amine;N-cyclohexyl-3-(4-methylphenyl)-1H-pyrazolo[4,3-c]pyridin-4-amine.
What is the SMILES notation for 3-(2-chlorophenyl)-N-cyclohexyl-1H-pyrazolo[4,3-c]pyridin-4-amine;3-(3-chlorophenyl)-N-cyclohexyl-1H-pyrazolo[4,3-c]pyridin-4-amine;3-(4-chlorophenyl)-N-cyclohexyl-1H-pyrazolo[4,3-c]pyridin-4-amine;N-cyclohexyl-3-(furan-3-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine;N-cyclohexyl-3-(3-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-4-amine;N-cyclohexyl-3-(4-methylphenyl)-1H-pyrazolo[4,3-c]pyridin-4-amine?
The canonical SMILES for 3-(2-chlorophenyl)-N-cyclohexyl-1H-pyrazolo[4,3-c]pyridin-4-amine;3-(3-chlorophenyl)-N-cyclohexyl-1H-pyrazolo[4,3-c]pyridin-4-amine;3-(4-chlorophenyl)-N-cyclohexyl-1H-pyrazolo[4,3-c]pyridin-4-amine;N-cyclohexyl-3-(furan-3-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine;N-cyclohexyl-3-(3-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-4-amine;N-cyclohexyl-3-(4-methylphenyl)-1H-pyrazolo[4,3-c]pyridin-4-amine is COc1cccc(-c2n[nH]c3ccnc(NC4CCCCC4)c23)c1.Cc1ccc(-c2n[nH]c3ccnc(NC4CCCCC4)c23)cc1.Clc1ccc(-c2n[nH]c3ccnc(NC4CCCCC4)c23)cc1.Clc1cccc(-c2n[nH]c3ccnc(NC4CCCCC4)c23)c1.Clc1ccccc1-c1n[nH]c2ccnc(NC3CCCCC3)c12.c1cc2[nH]nc(-c3ccoc3)c2c(NC2CCCCC2)n1.
What is the InChIKey of 3-(2-chlorophenyl)-N-cyclohexyl-1H-pyrazolo[4,3-c]pyridin-4-amine;3-(3-chlorophenyl)-N-cyclohexyl-1H-pyrazolo[4,3-c]pyridin-4-amine;3-(4-chlorophenyl)-N-cyclohexyl-1H-pyrazolo[4,3-c]pyridin-4-amine;N-cyclohexyl-3-(furan-3-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine;N-cyclohexyl-3-(3-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-4-amine;N-cyclohexyl-3-(4-methylphenyl)-1H-pyrazolo[4,3-c]pyridin-4-amine?
The InChIKey is IINMVQXNABUOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O.C19H22N4.3C18H19ClN4.C16H18N4O/c1-24-15-9-5-6-13(12-15)18-17-16(22-23-18)10-11-20-19(17)21-14-7-3-2-4-8-14;1-13-7-9-14(10-8-13)18-17-16(22-23-18)11-12-20-19(17)21-15-5-3-2-4-6-15;19-13-6-4-5-12(11-13)17-16-15(22-23-17)9-10-20-18(16)21-14-7-2-1-3-8-14;19-14-9-5-4-8-13(14)17-16-15(22-23-17)10-11-20-18(16)21-12-6-2-1-3-7-12;19-13-8-6-12(7-9-13)17-16-15(22-23-17)10-11-20-18(16)21-14-4-2-1-3-5-14;1-2-4-12(5-3-1)18-16-14-13(6-8-17-16)19-20-15(14)11-7-9-21-10-11/h5-6,9-12,14H,2-4,7-8H2,1H3,(H,20,21)(H,22,23);7-12,15H,2-6H2,1H3,(H,20,21)(H,22,23);4-6,9-11,14H,1-3,7-8H2,(H,20,21)(H,22,23);4-5,8-12H,1-3,6-7H2,(H,20,21)(H,22,23);6-11,14H,1-5H2,(H,20,21)(H,22,23);6-10,12H,1-5H2,(H,17,18)(H,19,20).
What are the key properties of 3-(2-chlorophenyl)-N-cyclohexyl-1H-pyrazolo[4,3-c]pyridin-4-amine;3-(3-chlorophenyl)-N-cyclohexyl-1H-pyrazolo[4,3-c]pyridin-4-amine;3-(4-chlorophenyl)-N-cyclohexyl-1H-pyrazolo[4,3-c]pyridin-4-amine;N-cyclohexyl-3-(furan-3-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine;N-cyclohexyl-3-(3-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-4-amine;N-cyclohexyl-3-(4-methylphenyl)-1H-pyrazolo[4,3-c]pyridin-4-amine?
3-(2-chlorophenyl)-N-cyclohexyl-1H-pyrazolo[4,3-c]pyridin-4-amine;3-(3-chlorophenyl)-N-cyclohexyl-1H-pyrazolo[4,3-c]pyridin-4-amine;3-(4-chlorophenyl)-N-cyclohexyl-1H-pyrazolo[4,3-c]pyridin-4-amine;N-cyclohexyl-3-(furan-3-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine;N-cyclohexyl-3-(3-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-4-amine;N-cyclohexyl-3-(4-methylphenyl)-1H-pyrazolo[4,3-c]pyridin-4-amine has a molecular weight of 1891.66 g/mol, XLogP of 28.09, 19 rotatable bonds, 12 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-cyclohexyl-1H-pyrazolo[4,3-c]pyridin-4-amine;3-(3-chlorophenyl)-N-cyclohexyl-1H-pyrazolo[4,3-c]pyridin-4-amine;3-(4-chlorophenyl)-N-cyclohexyl-1H-pyrazolo[4,3-c]pyridin-4-amine;N-cyclohexyl-3-(furan-3-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine;N-cyclohexyl-3-(3-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-4-amine;N-cyclohexyl-3-(4-methylphenyl)-1H-pyrazolo[4,3-c]pyridin-4-amine is sourced from PubChem (CID 158709413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158709413 — identifiers, structure, computed properties (public domain)
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