N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
C100H90F6N16O6 — CID 158510837
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPACN-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)Nc3ccc(-c4cc(C)nc5c4cnn5C)cc3)CC2)cc1.COc1cccc(C2(C(=O)Nc3ccc(-c4cc(C)nc5c4cnn5C)cc3)CC2)c1.Cc1cc(-c2ccc(NC(=O)C3(c4ccc(C(F)(F)F)cc4)CC3)cc2)c2cnn(C)c2n1.Cc1cc(-c2ccc(NC(=O)C3(c4cccc(C(F)(F)F)c4)CC3)cc2)c2cnn(C)c2n1
InChIInChI=1S/2C25H21F3N4O.2C25H24N4O2/c1-15-13-20(21-14-29-32(2)22(21)30-15)16-3-9-19(10-4-16)31-23(33)24(11-12-24)17-5-7-18(8-6-17)25(26,27)28;1-15-12-20(21-14-29-32(2)22(21)30-15)16-6-8-19(9-7-16)31-23(33)24(10-11-24)17-4-3-5-18(13-17)25(26,27)28;1-16-14-21(22-15-26-29(2)23(22)27-16)17-4-8-19(9-5-17)28-24(30)25(12-13-25)18-6-10-20(31-3)11-7-18;1-16-13-21(22-15-26-29(2)23(22)27-16)17-7-9-19(10-8-17)28-24(30)25(11-12-25)18-5-4-6-20(14-18)31-3/h3-10,13-14H,11-12H2,1-2H3,(H,31,33);3-9,12-14H,10-11H2,1-2H3,(H,31,33);4-11,14-15H,12-13H2,1-3H3,(H,28,30);4-10,13-15H,11-12H2,1-3H3,(H,28,30)
InChIKeyHLAKTNKMPDXWBU-UHFFFAOYSA-N
MW1725.91 g/mol
LogP20.51
Rot. Bonds18
About N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 158510837) has the molecular formula C100H90F6N16O6 and a molecular weight of 1725.91 g/mol. Its IUPAC name is N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.
Molecular Properties
| Compound Name | N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide |
|---|---|
| PubChem CID | 158510837 |
| Molecular Formula | C100H90F6N16O6 |
| Molecular Weight | 1725.91 g/mol |
| Exact Mass | 1724.71 |
| IUPAC Name | N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide |
| SMILES | COc1ccc(C2(C(=O)Nc3ccc(-c4cc(C)nc5c4cnn5C)cc3)CC2)cc1.COc1cccc(C2(C(=O)Nc3ccc(-c4cc(C)nc5c4cnn5C)cc3)CC2)c1.Cc1cc(-c2ccc(NC(=O)C3(c4ccc(C(F)(F)F)cc4)CC3)cc2)c2cnn(C)c2n1.Cc1cc(-c2ccc(NC(=O)C3(c4cccc(C(F)(F)F)c4)CC3)cc2)c2cnn(C)c2n1 |
| InChI | InChI=1S/2C25H21F3N4O.2C25H24N4O2/c1-15-13-20(21-14-29-32(2)22(21)30-15)16-3-9-19(10-4-16)31-23(33)24(11-12-24)17-5-7-18(8-6-17)25(26,27)28;1-15-12-20(21-14-29-32(2)22(21)30-15)16-6-8-19(9-7-16)31-23(33)24(10-11-24)17-4-3-5-18(13-17)25(26,27)28;1-16-14-21(22-15-26-29(2)23(22)27-16)17-4-8-19(9-5-17)28-24(30)25(12-13-25)18-6-10-20(31-3)11-7-18;1-16-13-21(22-15-26-29(2)23(22)27-16)17-7-9-19(10-8-17)28-24(30)25(11-12-25)18-5-4-6-20(14-18)31-3/h3-10,13-14H,11-12H2,1-2H3,(H,31,33);3-9,12-14H,10-11H2,1-2H3,(H,31,33);4-11,14-15H,12-13H2,1-3H3,(H,28,30);4-10,13-15H,11-12H2,1-3H3,(H,28,30) |
| InChIKey | HLAKTNKMPDXWBU-UHFFFAOYSA-N |
| XLogP | 20.51 |
| TPSA | 257.70 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 128 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1725.91 |
| LogP ≤ 5 | 20.51 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 18 |
Frequently Asked Questions
What is the IUPAC name of N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (CID 158510837) is N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is COc1ccc(C2(C(=O)Nc3ccc(-c4cc(C)nc5c4cnn5C)cc3)CC2)cc1.COc1cccc(C2(C(=O)Nc3ccc(-c4cc(C)nc5c4cnn5C)cc3)CC2)c1.Cc1cc(-c2ccc(NC(=O)C3(c4ccc(C(F)(F)F)cc4)CC3)cc2)c2cnn(C)c2n1.Cc1cc(-c2ccc(NC(=O)C3(c4cccc(C(F)(F)F)c4)CC3)cc2)c2cnn(C)c2n1.
What is the InChIKey of N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is HLAKTNKMPDXWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H21F3N4O.2C25H24N4O2/c1-15-13-20(21-14-29-32(2)22(21)30-15)16-3-9-19(10-4-16)31-23(33)24(11-12-24)17-5-7-18(8-6-17)25(26,27)28;1-15-12-20(21-14-29-32(2)22(21)30-15)16-6-8-19(9-7-16)31-23(33)24(10-11-24)17-4-3-5-18(13-17)25(26,27)28;1-16-14-21(22-15-26-29(2)23(22)27-16)17-4-8-19(9-5-17)28-24(30)25(12-13-25)18-6-10-20(31-3)11-7-18;1-16-13-21(22-15-26-29(2)23(22)27-16)17-7-9-19(10-8-17)28-24(30)25(11-12-25)18-5-4-6-20(14-18)31-3/h3-10,13-14H,11-12H2,1-2H3,(H,31,33);3-9,12-14H,10-11H2,1-2H3,(H,31,33);4-11,14-15H,12-13H2,1-3H3,(H,28,30);4-10,13-15H,11-12H2,1-3H3,(H,28,30).
What are the key properties of N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 1725.91 g/mol, XLogP of 20.51, 18 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 158510837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.
Sources
- PubChem CID 158510837 — identifiers, structure, computed properties (public domain)
How this page is built: methodology · editorial policy & corrections.
For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.