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

C25H24N6O2 — CID 89489760

IUPAC(4S)-4-methyl-4-phenyl-3-[2-[1-(1-phenylpyrazol-4-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC(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-/m1/s1
InChIKeyXOYMASHNDKYHME-IXXGTQFESA-N
MW440.51 g/mol
LogP4.71
Rot. Bonds6

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

(4S)-4-methyl-4-phenyl-3-[2-[1-(1-phenylpyrazol-4-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 89489760) has the molecular formula C25H24N6O2 and a molecular weight of 440.51 g/mol. Its IUPAC name is (4S)-4-methyl-4-phenyl-3-[2-[1-(1-phenylpyrazol-4-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-methyl-4-phenyl-3-[2-[1-(1-phenylpyrazol-4-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID89489760
Molecular FormulaC25H24N6O2
Molecular Weight440.51 g/mol
Exact Mass440.20
IUPAC Name(4S)-4-methyl-4-phenyl-3-[2-[1-(1-phenylpyrazol-4-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC(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-/m1/s1
InChIKeyXOYMASHNDKYHME-IXXGTQFESA-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

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Related Compounds

(4s)-3-{4-[6-Amino-5-(Pyrimidin-2-Yl)pyridin-3-Yl]phenyl}-5,5-Dimethyl-4-Phenyl-1,3-Oxazolidin-2-One
CID 72193935
US10323022, Example 511
CID 71041449
(4S)-4-propan-2-yl-3-[2-[[(1S)-1-(4-pyridin-2-ylphenyl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 89489859
benzyl N-[4-[(5-cyano-2-pyridinyl)amino]cyclohexyl]-N-[4-(1-methylpyrazol-4-yl)phenyl]carbamate
CID 145950016
(4S)-5,5-dimethyl-3-[4-(2-oxo-1-pyrimidin-2-yl-3H-imidazo[4,5-b]pyridin-6-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one
CID 71712239
1-[(1S)-1-(4-fluorophenyl)-2-methoxyethyl]-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 92044675
1-[(1S)-2-methoxy-1-phenylethyl]-3-[3-(2-methoxypyrimidin-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 92044687
1-[(1S)-2-methoxy-1-phenylethyl]-3-[3-(2-methylindazol-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 92044877
1-[(1S)-2-methoxy-1-phenylethyl]-3-[3-(2-methylindazol-6-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 92044878
1-[(1S)-2-methoxy-1-phenylethyl]-3-(3-pyrrolidin-1-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
CID 118381090
1-[(3S,4R)-4-(3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[4-methyl-3-(2-methylpyrimidin-4-yl)-1-phenylpyrazol-5-yl]urea
CID 155512717
(4R)-4-[(1S)-1-fluoroethyl]-3-[2-[[1-[1-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]cyclopropyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 155540428

Frequently Asked Questions

What is the IUPAC name of (4S)-4-methyl-4-phenyl-3-[2-[1-(1-phenylpyrazol-4-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-methyl-4-phenyl-3-[2-[1-(1-phenylpyrazol-4-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (CID 89489760) is (4S)-4-methyl-4-phenyl-3-[2-[1-(1-phenylpyrazol-4-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-methyl-4-phenyl-3-[2-[1-(1-phenylpyrazol-4-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-methyl-4-phenyl-3-[2-[1-(1-phenylpyrazol-4-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is CC(Nc1nccc(N2C(=O)OC[C@]2(C)c2ccccc2)n1)c1cnn(-c2ccccc2)c1.
What is the InChIKey of (4S)-4-methyl-4-phenyl-3-[2-[1-(1-phenylpyrazol-4-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is XOYMASHNDKYHME-IXXGTQFESA-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-/m1/s1.
What are the key properties of (4S)-4-methyl-4-phenyl-3-[2-[1-(1-phenylpyrazol-4-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
(4S)-4-methyl-4-phenyl-3-[2-[1-(1-phenylpyrazol-4-yl)ethylamino]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 (4S)-4-methyl-4-phenyl-3-[2-[1-(1-phenylpyrazol-4-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 89489760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).