About N-[4-(3-amino-1-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
N-[4-(3-amino-1-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 59463681) has the molecular formula C27H26F3N5O
and a molecular weight of 493.53 g/mol. Its IUPAC name is N-[4-(3-amino-1-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.
Molecular Properties
| Compound Name | N-[4-(3-amino-1-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide |
|---|
| PubChem CID | 59463681 |
|---|
| Molecular Formula | C27H26F3N5O |
|---|
| Molecular Weight | 493.53 g/mol |
|---|
| Exact Mass | 493.21 |
|---|
| IUPAC Name | N-[4-(3-amino-1-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide |
|---|
| SMILES | CC(C)c1cc(-c2ccc(NC(=O)C3(c4cccc(C(F)(F)F)c4)CC3)cc2)c2c(N)nn(C)c2n1 |
|---|
| InChI | InChI=1S/C27H26F3N5O/c1-15(2)21-14-20(22-23(31)34-35(3)24(22)33-21)16-7-9-19(10-8-16)32-25(36)26(11-12-26)17-5-4-6-18(13-17)27(28,29)30/h4-10,13-15H,11-12H2,1-3H3,(H2,31,34)(H,32,36) |
|---|
| InChIKey | UKXFZTXPHVXMQL-UHFFFAOYSA-N |
|---|
| XLogP | 6.03 |
|---|
| TPSA | 85.83 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 5 |
|---|
| Rotatable Bonds | 5 |
|---|
| Heavy Atoms | 36 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 493.53 |
| LogP ≤ 5 | 6.03 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 5 |
Analyze N-[4-(3-amino-1-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of N-[4-(3-amino-1-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of N-[4-(3-amino-1-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (CID 59463681) is N-[4-(3-amino-1-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-(3-amino-1-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-[4-(3-amino-1-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is CC(C)c1cc(-c2ccc(NC(=O)C3(c4cccc(C(F)(F)F)c4)CC3)cc2)c2c(N)nn(C)c2n1.
What is the InChIKey of N-[4-(3-amino-1-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is UKXFZTXPHVXMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F3N5O/c1-15(2)21-14-20(22-23(31)34-35(3)24(22)33-21)16-7-9-19(10-8-16)32-25(36)26(11-12-26)17-5-4-6-18(13-17)27(28,29)30/h4-10,13-15H,11-12H2,1-3H3,(H2,31,34)(H,32,36).
What are the key properties of N-[4-(3-amino-1-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
N-[4-(3-amino-1-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 493.53 g/mol, XLogP of 6.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-amino-1-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 59463681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).