About 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxy-N-methylpiperidine-1-carboxamide
4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxy-N-methylpiperidine-1-carboxamide (PubChem CID 135249426) has the molecular formula C24H24F2N6O2
and a molecular weight of 466.49 g/mol. Its IUPAC name is 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxy-N-methylpiperidine-1-carboxamide.
Molecular Properties
| Compound Name | 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxy-N-methylpiperidine-1-carboxamide |
| PubChem CID | 135249426 |
| Molecular Formula | C24H24F2N6O2 |
| Molecular Weight | 466.49 g/mol |
| Exact Mass | 466.19 |
| IUPAC Name | 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxy-N-methylpiperidine-1-carboxamide |
| SMILES | CNC(=O)N1CCC(Oc2cccc3ncc(-c4ccc(-c5cnn(C(F)F)c5)cc4)n23)CC1 |
| InChI | InChI=1S/C24H24F2N6O2/c1-27-24(33)30-11-9-19(10-12-30)34-22-4-2-3-21-28-14-20(32(21)22)17-7-5-16(6-8-17)18-13-29-31(15-18)23(25)26/h2-8,13-15,19,23H,9-12H2,1H3,(H,27,33) |
| InChIKey | XMODQXOQPDOKOB-UHFFFAOYSA-N |
| XLogP | 4.44 |
| TPSA | 76.69 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 34 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 466.49 |
| LogP ≤ 5 | 4.44 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxy-N-methylpiperidine-1-carboxamide?
The IUPAC name of 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxy-N-methylpiperidine-1-carboxamide (CID 135249426) is 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxy-N-methylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxy-N-methylpiperidine-1-carboxamide?
The canonical SMILES for 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxy-N-methylpiperidine-1-carboxamide is CNC(=O)N1CCC(Oc2cccc3ncc(-c4ccc(-c5cnn(C(F)F)c5)cc4)n23)CC1.
What is the InChIKey of 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxy-N-methylpiperidine-1-carboxamide?
The InChIKey is XMODQXOQPDOKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N6O2/c1-27-24(33)30-11-9-19(10-12-30)34-22-4-2-3-21-28-14-20(32(21)22)17-7-5-16(6-8-17)18-13-29-31(15-18)23(25)26/h2-8,13-15,19,23H,9-12H2,1H3,(H,27,33).
What are the key properties of 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxy-N-methylpiperidine-1-carboxamide?
4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxy-N-methylpiperidine-1-carboxamide has a molecular weight of 466.49 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxy-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 135249426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).