About (4R)-3-[4-[4-(3-cyclopropyl-5-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-methyl-1,3-oxazolidin-2-one
(4R)-3-[4-[4-(3-cyclopropyl-5-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 58484736) has the molecular formula C24H27FN4O3
and a molecular weight of 438.50 g/mol. Its IUPAC name is (4R)-3-[4-[4-(3-cyclopropyl-5-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-methyl-1,3-oxazolidin-2-one.
Molecular Properties
| Compound Name | (4R)-3-[4-[4-(3-cyclopropyl-5-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-methyl-1,3-oxazolidin-2-one |
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| PubChem CID | 58484736 |
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| Molecular Formula | C24H27FN4O3 |
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| Molecular Weight | 438.50 g/mol |
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| Exact Mass | 438.21 |
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| IUPAC Name | (4R)-3-[4-[4-(3-cyclopropyl-5-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-methyl-1,3-oxazolidin-2-one |
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| SMILES | Cc1cnc(N2CCN(C(=O)c3ccc(N4C(=O)OC[C@H]4C)cc3F)CC2)c(C2CC2)c1 |
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| InChI | InChI=1S/C24H27FN4O3/c1-15-11-20(17-3-4-17)22(26-13-15)27-7-9-28(10-8-27)23(30)19-6-5-18(12-21(19)25)29-16(2)14-32-24(29)31/h5-6,11-13,16-17H,3-4,7-10,14H2,1-2H3/t16-/m1/s1 |
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| InChIKey | QFYHKBXFDFFODY-MRXNPFEDSA-N |
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| XLogP | 3.71 |
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| TPSA | 65.98 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 32 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 438.50 |
| LogP ≤ 5 | 3.71 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
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Frequently Asked Questions
What is the IUPAC name of (4R)-3-[4-[4-(3-cyclopropyl-5-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[4-[4-(3-cyclopropyl-5-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-methyl-1,3-oxazolidin-2-one (CID 58484736) is (4R)-3-[4-[4-(3-cyclopropyl-5-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[4-[4-(3-cyclopropyl-5-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[4-[4-(3-cyclopropyl-5-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-methyl-1,3-oxazolidin-2-one is Cc1cnc(N2CCN(C(=O)c3ccc(N4C(=O)OC[C@H]4C)cc3F)CC2)c(C2CC2)c1.
What is the InChIKey of (4R)-3-[4-[4-(3-cyclopropyl-5-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is QFYHKBXFDFFODY-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H27FN4O3/c1-15-11-20(17-3-4-17)22(26-13-15)27-7-9-28(10-8-27)23(30)19-6-5-18(12-21(19)25)29-16(2)14-32-24(29)31/h5-6,11-13,16-17H,3-4,7-10,14H2,1-2H3/t16-/m1/s1.
What are the key properties of (4R)-3-[4-[4-(3-cyclopropyl-5-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-methyl-1,3-oxazolidin-2-one?
(4R)-3-[4-[4-(3-cyclopropyl-5-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 438.50 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[4-[4-(3-cyclopropyl-5-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 58484736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).