1-[(2,4-difluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[(3,4-dimethoxyphenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;3,5-dimethyl-4-[[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,2-oxazole;1-[4-[[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]phenyl]ethanone;6-(1-methylpyrazol-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[4,5-b]pyridine;6-(1-methylpyrazol-4-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[4,5-b]pyridine
C107H93F8N31O4 — CID 158412087
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC1-[(2,4-difluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[(3,4-dimethoxyphenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;3,5-dimethyl-4-[[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,2-oxazole;1-[4-[[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]phenyl]ethanone;6-(1-methylpyrazol-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[4,5-b]pyridine;6-(1-methylpyrazol-4-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[4,5-b]pyridine
SMILESCC(=O)c1ccc(Cn2ncc3ncc(-c4cnn(C)c4)cc32)cc1.COc1ccc(Cn2ncc3ncc(-c4cnn(C)c4)cc32)cc1OC.Cc1noc(C)c1Cn1ncc2ncc(-c3cnn(C)c3)cc21.Cn1cc(-c2cnc3cnn(Cc4ccc(C(F)(F)F)cc4)c3c2)cn1.Cn1cc(-c2cnc3cnn(Cc4ccc(F)cc4F)c3c2)cn1.Cn1cc(-c2cnc3cnn(Cc4ccccc4C(F)(F)F)c3c2)cn1
InChIInChI=1S/C19H19N5O2.C19H17N5O.2C18H14F3N5.C17H13F2N5.C16H16N6O/c1-23-12-15(9-21-23)14-7-17-16(20-8-14)10-22-24(17)11-13-4-5-18(25-2)19(6-13)26-3;1-13(25)15-5-3-14(4-6-15)11-24-19-7-16(8-20-18(19)10-22-24)17-9-21-23(2)12-17;1-25-11-14(8-23-25)13-6-17-16(22-7-13)9-24-26(17)10-12-2-4-15(5-3-12)18(19,20)21;1-25-10-14(8-23-25)13-6-17-16(22-7-13)9-24-26(17)11-12-4-2-3-5-15(12)18(19,20)21;1-23-9-13(7-21-23)12-4-17-16(20-6-12)8-22-24(17)10-11-2-3-14(18)5-15(11)19;1-10-14(11(2)23-20-10)9-22-16-4-12(5-17-15(16)7-19-22)13-6-18-21(3)8-13/h4-10,12H,11H2,1-3H3;3-10,12H,11H2,1-2H3;2-9,11H,10H2,1H3;2-10H,11H2,1H3;2-9H,10H2,1H3;4-8H,9H2,1-3H3
InChIKeyGZKZSZOTANPBDS-UHFFFAOYSA-N
MW2029.12 g/mol
LogP19.42
Rot. Bonds21
About 1-[(2,4-difluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[(3,4-dimethoxyphenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;3,5-dimethyl-4-[[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,2-oxazole;1-[4-[[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]phenyl]ethanone;6-(1-methylpyrazol-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[4,5-b]pyridine;6-(1-methylpyrazol-4-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[4,5-b]pyridine
1-[(2,4-difluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[(3,4-dimethoxyphenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;3,5-dimethyl-4-[[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,2-oxazole;1-[4-[[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]phenyl]ethanone;6-(1-methylpyrazol-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[4,5-b]pyridine;6-(1-methylpyrazol-4-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[4,5-b]pyridine (PubChem CID 158412087) has the molecular formula C107H93F8N31O4 and a molecular weight of 2029.12 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[(3,4-dimethoxyphenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;3,5-dimethyl-4-[[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,2-oxazole;1-[4-[[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]phenyl]ethanone;6-(1-methylpyrazol-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[4,5-b]pyridine;6-(1-methylpyrazol-4-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[4,5-b]pyridine.
Molecular Properties
| Compound Name | 1-[(2,4-difluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[(3,4-dimethoxyphenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;3,5-dimethyl-4-[[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,2-oxazole;1-[4-[[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]phenyl]ethanone;6-(1-methylpyrazol-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[4,5-b]pyridine;6-(1-methylpyrazol-4-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[4,5-b]pyridine |
|---|---|
| PubChem CID | 158412087 |
| Molecular Formula | C107H93F8N31O4 |
| Molecular Weight | 2029.12 g/mol |
| Exact Mass | 2027.79 |
| IUPAC Name | 1-[(2,4-difluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[(3,4-dimethoxyphenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;3,5-dimethyl-4-[[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,2-oxazole;1-[4-[[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]phenyl]ethanone;6-(1-methylpyrazol-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[4,5-b]pyridine;6-(1-methylpyrazol-4-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[4,5-b]pyridine |
| SMILES | CC(=O)c1ccc(Cn2ncc3ncc(-c4cnn(C)c4)cc32)cc1.COc1ccc(Cn2ncc3ncc(-c4cnn(C)c4)cc32)cc1OC.Cc1noc(C)c1Cn1ncc2ncc(-c3cnn(C)c3)cc21.Cn1cc(-c2cnc3cnn(Cc4ccc(C(F)(F)F)cc4)c3c2)cn1.Cn1cc(-c2cnc3cnn(Cc4ccc(F)cc4F)c3c2)cn1.Cn1cc(-c2cnc3cnn(Cc4ccccc4C(F)(F)F)c3c2)cn1 |
| InChI | InChI=1S/C19H19N5O2.C19H17N5O.2C18H14F3N5.C17H13F2N5.C16H16N6O/c1-23-12-15(9-21-23)14-7-17-16(20-8-14)10-22-24(17)11-13-4-5-18(25-2)19(6-13)26-3;1-13(25)15-5-3-14(4-6-15)11-24-19-7-16(8-20-18(19)10-22-24)17-9-21-23(2)12-17;1-25-11-14(8-23-25)13-6-17-16(22-7-13)9-24-26(17)10-12-2-4-15(5-3-12)18(19,20)21;1-25-10-14(8-23-25)13-6-17-16(22-7-13)9-24-26(17)11-12-4-2-3-5-15(12)18(19,20)21;1-23-9-13(7-21-23)12-4-17-16(20-6-12)8-22-24(17)10-11-2-3-14(18)5-15(11)19;1-10-14(11(2)23-20-10)9-22-16-4-12(5-17-15(16)7-19-22)13-6-18-21(3)8-13/h4-10,12H,11H2,1-3H3;3-10,12H,11H2,1-2H3;2-9,11H,10H2,1H3;2-10H,11H2,1H3;2-9H,10H2,1H3;4-8H,9H2,1-3H3 |
| InChIKey | GZKZSZOTANPBDS-UHFFFAOYSA-N |
| XLogP | 19.42 |
| TPSA | 352.74 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 150 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2029.12 |
| LogP ≤ 5 | 19.42 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 35 |
Frequently Asked Questions
What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[(3,4-dimethoxyphenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;3,5-dimethyl-4-[[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,2-oxazole;1-[4-[[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]phenyl]ethanone;6-(1-methylpyrazol-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[4,5-b]pyridine;6-(1-methylpyrazol-4-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[4,5-b]pyridine?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[(3,4-dimethoxyphenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;3,5-dimethyl-4-[[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,2-oxazole;1-[4-[[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]phenyl]ethanone;6-(1-methylpyrazol-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[4,5-b]pyridine;6-(1-methylpyrazol-4-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[4,5-b]pyridine (CID 158412087) is 1-[(2,4-difluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[(3,4-dimethoxyphenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;3,5-dimethyl-4-[[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,2-oxazole;1-[4-[[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]phenyl]ethanone;6-(1-methylpyrazol-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[4,5-b]pyridine;6-(1-methylpyrazol-4-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[(3,4-dimethoxyphenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;3,5-dimethyl-4-[[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,2-oxazole;1-[4-[[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]phenyl]ethanone;6-(1-methylpyrazol-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[4,5-b]pyridine;6-(1-methylpyrazol-4-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[4,5-b]pyridine?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[(3,4-dimethoxyphenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;3,5-dimethyl-4-[[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,2-oxazole;1-[4-[[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]phenyl]ethanone;6-(1-methylpyrazol-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[4,5-b]pyridine;6-(1-methylpyrazol-4-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[4,5-b]pyridine is CC(=O)c1ccc(Cn2ncc3ncc(-c4cnn(C)c4)cc32)cc1.COc1ccc(Cn2ncc3ncc(-c4cnn(C)c4)cc32)cc1OC.Cc1noc(C)c1Cn1ncc2ncc(-c3cnn(C)c3)cc21.Cn1cc(-c2cnc3cnn(Cc4ccc(C(F)(F)F)cc4)c3c2)cn1.Cn1cc(-c2cnc3cnn(Cc4ccc(F)cc4F)c3c2)cn1.Cn1cc(-c2cnc3cnn(Cc4ccccc4C(F)(F)F)c3c2)cn1.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[(3,4-dimethoxyphenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;3,5-dimethyl-4-[[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,2-oxazole;1-[4-[[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]phenyl]ethanone;6-(1-methylpyrazol-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[4,5-b]pyridine;6-(1-methylpyrazol-4-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[4,5-b]pyridine?
The InChIKey is GZKZSZOTANPBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2.C19H17N5O.2C18H14F3N5.C17H13F2N5.C16H16N6O/c1-23-12-15(9-21-23)14-7-17-16(20-8-14)10-22-24(17)11-13-4-5-18(25-2)19(6-13)26-3;1-13(25)15-5-3-14(4-6-15)11-24-19-7-16(8-20-18(19)10-22-24)17-9-21-23(2)12-17;1-25-11-14(8-23-25)13-6-17-16(22-7-13)9-24-26(17)10-12-2-4-15(5-3-12)18(19,20)21;1-25-10-14(8-23-25)13-6-17-16(22-7-13)9-24-26(17)11-12-4-2-3-5-15(12)18(19,20)21;1-23-9-13(7-21-23)12-4-17-16(20-6-12)8-22-24(17)10-11-2-3-14(18)5-15(11)19;1-10-14(11(2)23-20-10)9-22-16-4-12(5-17-15(16)7-19-22)13-6-18-21(3)8-13/h4-10,12H,11H2,1-3H3;3-10,12H,11H2,1-2H3;2-9,11H,10H2,1H3;2-10H,11H2,1H3;2-9H,10H2,1H3;4-8H,9H2,1-3H3.
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[(3,4-dimethoxyphenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;3,5-dimethyl-4-[[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,2-oxazole;1-[4-[[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]phenyl]ethanone;6-(1-methylpyrazol-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[4,5-b]pyridine;6-(1-methylpyrazol-4-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[4,5-b]pyridine?
1-[(2,4-difluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[(3,4-dimethoxyphenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;3,5-dimethyl-4-[[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,2-oxazole;1-[4-[[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]phenyl]ethanone;6-(1-methylpyrazol-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[4,5-b]pyridine;6-(1-methylpyrazol-4-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[4,5-b]pyridine has a molecular weight of 2029.12 g/mol, XLogP of 19.42, 21 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[(3,4-dimethoxyphenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;3,5-dimethyl-4-[[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,2-oxazole;1-[4-[[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]phenyl]ethanone;6-(1-methylpyrazol-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[4,5-b]pyridine;6-(1-methylpyrazol-4-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 158412087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158412087 — identifiers, structure, computed properties (public domain)
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