About [4-[2-[3-(2-methylimidazo[4,5-b]pyridin-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-4-phenylpiperidin-1-yl]-phenylmethanone
[4-[2-[3-(2-methylimidazo[4,5-b]pyridin-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-4-phenylpiperidin-1-yl]-phenylmethanone (PubChem CID 54580081) has the molecular formula C34H39N5O
and a molecular weight of 533.72 g/mol. Its IUPAC name is [4-[2-[3-(2-methylimidazo[4,5-b]pyridin-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-4-phenylpiperidin-1-yl]-phenylmethanone.
Molecular Properties
| Compound Name | [4-[2-[3-(2-methylimidazo[4,5-b]pyridin-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-4-phenylpiperidin-1-yl]-phenylmethanone |
|---|
| PubChem CID | 54580081 |
|---|
| Molecular Formula | C34H39N5O |
|---|
| Molecular Weight | 533.72 g/mol |
|---|
| Exact Mass | 533.32 |
|---|
| IUPAC Name | [4-[2-[3-(2-methylimidazo[4,5-b]pyridin-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-4-phenylpiperidin-1-yl]-phenylmethanone |
|---|
| SMILES | Cc1nc2cccnc2n1C1CC2CCC(C1)N2CCC1(c2ccccc2)CCN(C(=O)c2ccccc2)CC1 |
|---|
| InChI | InChI=1S/C34H39N5O/c1-25-36-31-13-8-19-35-32(31)39(25)30-23-28-14-15-29(24-30)38(28)22-18-34(27-11-6-3-7-12-27)16-20-37(21-17-34)33(40)26-9-4-2-5-10-26/h2-13,19,28-30H,14-18,20-24H2,1H3 |
|---|
| InChIKey | DRHNCCCPDIGDNF-UHFFFAOYSA-N |
|---|
| XLogP | 6.17 |
|---|
| TPSA | 54.26 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 5 |
|---|
| Rotatable Bonds | 6 |
|---|
| Heavy Atoms | 40 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 533.72 |
| LogP ≤ 5 | 6.17 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
Analyze [4-[2-[3-(2-methylimidazo[4,5-b]pyridin-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-4-phenylpiperidin-1-yl]-phenylmethanone 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 [4-[2-[3-(2-methylimidazo[4,5-b]pyridin-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-4-phenylpiperidin-1-yl]-phenylmethanone?
The IUPAC name of [4-[2-[3-(2-methylimidazo[4,5-b]pyridin-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-4-phenylpiperidin-1-yl]-phenylmethanone (CID 54580081) is [4-[2-[3-(2-methylimidazo[4,5-b]pyridin-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-4-phenylpiperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[2-[3-(2-methylimidazo[4,5-b]pyridin-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-4-phenylpiperidin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[2-[3-(2-methylimidazo[4,5-b]pyridin-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-4-phenylpiperidin-1-yl]-phenylmethanone is Cc1nc2cccnc2n1C1CC2CCC(C1)N2CCC1(c2ccccc2)CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of [4-[2-[3-(2-methylimidazo[4,5-b]pyridin-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-4-phenylpiperidin-1-yl]-phenylmethanone?
The InChIKey is DRHNCCCPDIGDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39N5O/c1-25-36-31-13-8-19-35-32(31)39(25)30-23-28-14-15-29(24-30)38(28)22-18-34(27-11-6-3-7-12-27)16-20-37(21-17-34)33(40)26-9-4-2-5-10-26/h2-13,19,28-30H,14-18,20-24H2,1H3.
What are the key properties of [4-[2-[3-(2-methylimidazo[4,5-b]pyridin-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-4-phenylpiperidin-1-yl]-phenylmethanone?
[4-[2-[3-(2-methylimidazo[4,5-b]pyridin-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-4-phenylpiperidin-1-yl]-phenylmethanone has a molecular weight of 533.72 g/mol, XLogP of 6.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[3-(2-methylimidazo[4,5-b]pyridin-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-4-phenylpiperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 54580081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).