(4R)-4-methyl-4-phenyl-3-[2-[[(1S)-1-(1-phenylpyrazol-4-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one

C25H24N6O2 — CID 90347578

IUPAC(4R)-4-methyl-4-phenyl-3-[2-[[(1S)-1-(1-phenylpyrazol-4-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESC[C@H](Nc1nccc(N2C(=O)OC[C@@]2(C)c2ccccc2)n1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C25H24N6O2/c1-18(19-15-27-30(16-19)21-11-7-4-8-12-21)28-23-26-14-13-22(29-23)31-24(32)33-17-25(31,2)20-9-5-3-6-10-20/h3-16,18H,17H2,1-2H3,(H,26,28,29)/t18-,25-/m0/s1
InChIKeyXOYMASHNDKYHME-BVZFJXPGSA-N
MW440.51 g/mol
LogP4.71
Rot. Bonds6

About (4R)-4-methyl-4-phenyl-3-[2-[[(1S)-1-(1-phenylpyrazol-4-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one

(4R)-4-methyl-4-phenyl-3-[2-[[(1S)-1-(1-phenylpyrazol-4-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 90347578) has the molecular formula C25H24N6O2 and a molecular weight of 440.51 g/mol. Its IUPAC name is (4R)-4-methyl-4-phenyl-3-[2-[[(1S)-1-(1-phenylpyrazol-4-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-methyl-4-phenyl-3-[2-[[(1S)-1-(1-phenylpyrazol-4-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID90347578
Molecular FormulaC25H24N6O2
Molecular Weight440.51 g/mol
Exact Mass440.20
IUPAC Name(4R)-4-methyl-4-phenyl-3-[2-[[(1S)-1-(1-phenylpyrazol-4-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESC[C@H](Nc1nccc(N2C(=O)OC[C@@]2(C)c2ccccc2)n1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C25H24N6O2/c1-18(19-15-27-30(16-19)21-11-7-4-8-12-21)28-23-26-14-13-22(29-23)31-24(32)33-17-25(31,2)20-9-5-3-6-10-20/h3-16,18H,17H2,1-2H3,(H,26,28,29)/t18-,25-/m0/s1
InChIKeyXOYMASHNDKYHME-BVZFJXPGSA-N
XLogP4.71
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4R)-4-methyl-4-phenyl-3-[2-[[(1S)-1-(1-phenylpyrazol-4-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one 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 (4R)-4-methyl-4-phenyl-3-[2-[[(1S)-1-(1-phenylpyrazol-4-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-methyl-4-phenyl-3-[2-[[(1S)-1-(1-phenylpyrazol-4-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (CID 90347578) is (4R)-4-methyl-4-phenyl-3-[2-[[(1S)-1-(1-phenylpyrazol-4-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-methyl-4-phenyl-3-[2-[[(1S)-1-(1-phenylpyrazol-4-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-methyl-4-phenyl-3-[2-[[(1S)-1-(1-phenylpyrazol-4-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is C[C@H](Nc1nccc(N2C(=O)OC[C@@]2(C)c2ccccc2)n1)c1cnn(-c2ccccc2)c1.
What is the InChIKey of (4R)-4-methyl-4-phenyl-3-[2-[[(1S)-1-(1-phenylpyrazol-4-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is XOYMASHNDKYHME-BVZFJXPGSA-N. The full InChI is InChI=1S/C25H24N6O2/c1-18(19-15-27-30(16-19)21-11-7-4-8-12-21)28-23-26-14-13-22(29-23)31-24(32)33-17-25(31,2)20-9-5-3-6-10-20/h3-16,18H,17H2,1-2H3,(H,26,28,29)/t18-,25-/m0/s1.
What are the key properties of (4R)-4-methyl-4-phenyl-3-[2-[[(1S)-1-(1-phenylpyrazol-4-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
(4R)-4-methyl-4-phenyl-3-[2-[[(1S)-1-(1-phenylpyrazol-4-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 440.51 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methyl-4-phenyl-3-[2-[[(1S)-1-(1-phenylpyrazol-4-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 90347578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).