(4R)-4-(4-fluorophenyl)-3-[2-[1-[1-(4-fluorophenyl)pyrazol-4-yl]ethylamino]pyrimidin-4-yl]-4-methyl-1,3-oxazolidin-2-one

C25H22F2N6O2 — CID 89489757

IUPAC(4R)-4-(4-fluorophenyl)-3-[2-[1-[1-(4-fluorophenyl)pyrazol-4-yl]ethylamino]pyrimidin-4-yl]-4-methyl-1,3-oxazolidin-2-one
SMILESCC(Nc1nccc(N2C(=O)OC[C@@]2(C)c2ccc(F)cc2)n1)c1cnn(-c2ccc(F)cc2)c1
InChIInChI=1S/C25H22F2N6O2/c1-16(17-13-29-32(14-17)21-9-7-20(27)8-10-21)30-23-28-12-11-22(31-23)33-24(34)35-15-25(33,2)18-3-5-19(26)6-4-18/h3-14,16H,15H2,1-2H3,(H,28,30,31)/t16?,25-/m0/s1
InChIKeyZTGXAPUGYAFKMX-JIKORUOASA-N
MW476.49 g/mol
LogP4.99
Rot. Bonds6

About (4R)-4-(4-fluorophenyl)-3-[2-[1-[1-(4-fluorophenyl)pyrazol-4-yl]ethylamino]pyrimidin-4-yl]-4-methyl-1,3-oxazolidin-2-one

(4R)-4-(4-fluorophenyl)-3-[2-[1-[1-(4-fluorophenyl)pyrazol-4-yl]ethylamino]pyrimidin-4-yl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 89489757) has the molecular formula C25H22F2N6O2 and a molecular weight of 476.49 g/mol. Its IUPAC name is (4R)-4-(4-fluorophenyl)-3-[2-[1-[1-(4-fluorophenyl)pyrazol-4-yl]ethylamino]pyrimidin-4-yl]-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(4-fluorophenyl)-3-[2-[1-[1-(4-fluorophenyl)pyrazol-4-yl]ethylamino]pyrimidin-4-yl]-4-methyl-1,3-oxazolidin-2-one
PubChem CID89489757
Molecular FormulaC25H22F2N6O2
Molecular Weight476.49 g/mol
Exact Mass476.18
IUPAC Name(4R)-4-(4-fluorophenyl)-3-[2-[1-[1-(4-fluorophenyl)pyrazol-4-yl]ethylamino]pyrimidin-4-yl]-4-methyl-1,3-oxazolidin-2-one
SMILESCC(Nc1nccc(N2C(=O)OC[C@@]2(C)c2ccc(F)cc2)n1)c1cnn(-c2ccc(F)cc2)c1
InChIInChI=1S/C25H22F2N6O2/c1-16(17-13-29-32(14-17)21-9-7-20(27)8-10-21)30-23-28-12-11-22(31-23)33-24(34)35-15-25(33,2)18-3-5-19(26)6-4-18/h3-14,16H,15H2,1-2H3,(H,28,30,31)/t16?,25-/m0/s1
InChIKeyZTGXAPUGYAFKMX-JIKORUOASA-N
XLogP4.99
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.49
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-fluorophenyl)-3-[2-[1-[1-(4-fluorophenyl)pyrazol-4-yl]ethylamino]pyrimidin-4-yl]-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-(4-fluorophenyl)-3-[2-[1-[1-(4-fluorophenyl)pyrazol-4-yl]ethylamino]pyrimidin-4-yl]-4-methyl-1,3-oxazolidin-2-one (CID 89489757) is (4R)-4-(4-fluorophenyl)-3-[2-[1-[1-(4-fluorophenyl)pyrazol-4-yl]ethylamino]pyrimidin-4-yl]-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-(4-fluorophenyl)-3-[2-[1-[1-(4-fluorophenyl)pyrazol-4-yl]ethylamino]pyrimidin-4-yl]-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-(4-fluorophenyl)-3-[2-[1-[1-(4-fluorophenyl)pyrazol-4-yl]ethylamino]pyrimidin-4-yl]-4-methyl-1,3-oxazolidin-2-one is CC(Nc1nccc(N2C(=O)OC[C@@]2(C)c2ccc(F)cc2)n1)c1cnn(-c2ccc(F)cc2)c1.
What is the InChIKey of (4R)-4-(4-fluorophenyl)-3-[2-[1-[1-(4-fluorophenyl)pyrazol-4-yl]ethylamino]pyrimidin-4-yl]-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is ZTGXAPUGYAFKMX-JIKORUOASA-N. The full InChI is InChI=1S/C25H22F2N6O2/c1-16(17-13-29-32(14-17)21-9-7-20(27)8-10-21)30-23-28-12-11-22(31-23)33-24(34)35-15-25(33,2)18-3-5-19(26)6-4-18/h3-14,16H,15H2,1-2H3,(H,28,30,31)/t16?,25-/m0/s1.
What are the key properties of (4R)-4-(4-fluorophenyl)-3-[2-[1-[1-(4-fluorophenyl)pyrazol-4-yl]ethylamino]pyrimidin-4-yl]-4-methyl-1,3-oxazolidin-2-one?
(4R)-4-(4-fluorophenyl)-3-[2-[1-[1-(4-fluorophenyl)pyrazol-4-yl]ethylamino]pyrimidin-4-yl]-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 476.49 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-fluorophenyl)-3-[2-[1-[1-(4-fluorophenyl)pyrazol-4-yl]ethylamino]pyrimidin-4-yl]-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 89489757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).