About [4-fluoro-1-(pyridazin-4-ylmethyl)piperidin-4-yl]-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone
[4-fluoro-1-(pyridazin-4-ylmethyl)piperidin-4-yl]-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone (PubChem CID 10239176) has the molecular formula C27H29FN8O
and a molecular weight of 500.58 g/mol. Its IUPAC name is [4-fluoro-1-(pyridazin-4-ylmethyl)piperidin-4-yl]-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone.
Molecular Properties
| Compound Name | [4-fluoro-1-(pyridazin-4-ylmethyl)piperidin-4-yl]-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone |
|---|
| PubChem CID | 10239176 |
|---|
| Molecular Formula | C27H29FN8O |
|---|
| Molecular Weight | 500.58 g/mol |
|---|
| Exact Mass | 500.24 |
|---|
| IUPAC Name | [4-fluoro-1-(pyridazin-4-ylmethyl)piperidin-4-yl]-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone |
|---|
| SMILES | O=C(N1CCC(n2c(-c3ccccn3)nc3cccnc32)CC1)C1(F)CCN(Cc2ccnnc2)CC1 |
|---|
| InChI | InChI=1S/C27H29FN8O/c28-27(9-16-34(17-10-27)19-20-6-13-31-32-18-20)26(37)35-14-7-21(8-15-35)36-24-23(5-3-12-30-24)33-25(36)22-4-1-2-11-29-22/h1-6,11-13,18,21H,7-10,14-17,19H2 |
|---|
| InChIKey | UDFGXEDSYBZHDH-UHFFFAOYSA-N |
|---|
| XLogP | 3.45 |
|---|
| TPSA | 92.93 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 8 |
|---|
| Rotatable Bonds | 5 |
|---|
| Heavy Atoms | 37 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 500.58 |
| LogP ≤ 5 | 3.45 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
Analyze [4-fluoro-1-(pyridazin-4-ylmethyl)piperidin-4-yl]-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone 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-fluoro-1-(pyridazin-4-ylmethyl)piperidin-4-yl]-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone?
The IUPAC name of [4-fluoro-1-(pyridazin-4-ylmethyl)piperidin-4-yl]-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone (CID 10239176) is [4-fluoro-1-(pyridazin-4-ylmethyl)piperidin-4-yl]-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [4-fluoro-1-(pyridazin-4-ylmethyl)piperidin-4-yl]-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for [4-fluoro-1-(pyridazin-4-ylmethyl)piperidin-4-yl]-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone is O=C(N1CCC(n2c(-c3ccccn3)nc3cccnc32)CC1)C1(F)CCN(Cc2ccnnc2)CC1.
What is the InChIKey of [4-fluoro-1-(pyridazin-4-ylmethyl)piperidin-4-yl]-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone?
The InChIKey is UDFGXEDSYBZHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN8O/c28-27(9-16-34(17-10-27)19-20-6-13-31-32-18-20)26(37)35-14-7-21(8-15-35)36-24-23(5-3-12-30-24)33-25(36)22-4-1-2-11-29-22/h1-6,11-13,18,21H,7-10,14-17,19H2.
What are the key properties of [4-fluoro-1-(pyridazin-4-ylmethyl)piperidin-4-yl]-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone?
[4-fluoro-1-(pyridazin-4-ylmethyl)piperidin-4-yl]-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone has a molecular weight of 500.58 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-1-(pyridazin-4-ylmethyl)piperidin-4-yl]-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 10239176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).