About 7-cyclopentyloxy-2-cyclopropyl-N-[1-(difluoromethyl)-2-oxo-3-pyridinyl]imidazo[1,2-a]pyridine-6-carboxamide
7-cyclopentyloxy-2-cyclopropyl-N-[1-(difluoromethyl)-2-oxo-3-pyridinyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 167420261) has the molecular formula C22H22F2N4O3
and a molecular weight of 428.44 g/mol. Its IUPAC name is 7-cyclopentyloxy-2-cyclopropyl-N-[1-(difluoromethyl)-2-oxo-3-pyridinyl]imidazo[1,2-a]pyridine-6-carboxamide.
Molecular Properties
| Compound Name | 7-cyclopentyloxy-2-cyclopropyl-N-[1-(difluoromethyl)-2-oxo-3-pyridinyl]imidazo[1,2-a]pyridine-6-carboxamide |
| PubChem CID | 167420261 |
| Molecular Formula | C22H22F2N4O3 |
| Molecular Weight | 428.44 g/mol |
| Exact Mass | 428.17 |
| IUPAC Name | 7-cyclopentyloxy-2-cyclopropyl-N-[1-(difluoromethyl)-2-oxo-3-pyridinyl]imidazo[1,2-a]pyridine-6-carboxamide |
| SMILES | O=C(Nc1cccn(C(F)F)c1=O)c1cn2cc(C3CC3)nc2cc1OC1CCCC1 |
| InChI | InChI=1S/C22H22F2N4O3/c23-22(24)28-9-3-6-16(21(28)30)26-20(29)15-11-27-12-17(13-7-8-13)25-19(27)10-18(15)31-14-4-1-2-5-14/h3,6,9-14,22H,1-2,4-5,7-8H2,(H,26,29) |
| InChIKey | XFMZXJRDWMQZAU-UHFFFAOYSA-N |
| XLogP | 4.34 |
| TPSA | 77.63 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Heavy Atoms | 31 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 428.44 |
| LogP ≤ 5 | 4.34 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of 7-cyclopentyloxy-2-cyclopropyl-N-[1-(difluoromethyl)-2-oxo-3-pyridinyl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 7-cyclopentyloxy-2-cyclopropyl-N-[1-(difluoromethyl)-2-oxo-3-pyridinyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 167420261) is 7-cyclopentyloxy-2-cyclopropyl-N-[1-(difluoromethyl)-2-oxo-3-pyridinyl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 7-cyclopentyloxy-2-cyclopropyl-N-[1-(difluoromethyl)-2-oxo-3-pyridinyl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 7-cyclopentyloxy-2-cyclopropyl-N-[1-(difluoromethyl)-2-oxo-3-pyridinyl]imidazo[1,2-a]pyridine-6-carboxamide is O=C(Nc1cccn(C(F)F)c1=O)c1cn2cc(C3CC3)nc2cc1OC1CCCC1.
What is the InChIKey of 7-cyclopentyloxy-2-cyclopropyl-N-[1-(difluoromethyl)-2-oxo-3-pyridinyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is XFMZXJRDWMQZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4O3/c23-22(24)28-9-3-6-16(21(28)30)26-20(29)15-11-27-12-17(13-7-8-13)25-19(27)10-18(15)31-14-4-1-2-5-14/h3,6,9-14,22H,1-2,4-5,7-8H2,(H,26,29).
What are the key properties of 7-cyclopentyloxy-2-cyclopropyl-N-[1-(difluoromethyl)-2-oxo-3-pyridinyl]imidazo[1,2-a]pyridine-6-carboxamide?
7-cyclopentyloxy-2-cyclopropyl-N-[1-(difluoromethyl)-2-oxo-3-pyridinyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 428.44 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyloxy-2-cyclopropyl-N-[1-(difluoromethyl)-2-oxo-3-pyridinyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 167420261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).