(4R)-4-[3-[6-[2-[(2-methoxypyrimidin-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1,3-dimethylpiperidin-2-one

C24H24N8O3 — CID 170379344

IUPAC(4R)-4-[3-[6-[2-[(2-methoxypyrimidin-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1,3-dimethylpiperidin-2-one
SMILESCOc1nccc(Nc2nccc(-c3cccc(-c4cc([C@@H]5CCN(C)C(=O)C5C)on4)n3)n2)n1
InChIInChI=1S/C24H24N8O3/c1-14-15(9-12-32(2)22(14)33)20-13-19(31-35-20)17-6-4-5-16(27-17)18-7-10-25-23(28-18)29-21-8-11-26-24(30-21)34-3/h4-8,10-11,13-15H,9,12H2,1-3H3,(H,25,26,28,29,30)/t14?,15-/m1/s1
InChIKeyFCXKNAAWMZCJBV-YSSOQSIOSA-N
MW472.51 g/mol
LogP3.32
Rot. Bonds6

About (4R)-4-[3-[6-[2-[(2-methoxypyrimidin-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1,3-dimethylpiperidin-2-one

(4R)-4-[3-[6-[2-[(2-methoxypyrimidin-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1,3-dimethylpiperidin-2-one (PubChem CID 170379344) has the molecular formula C24H24N8O3 and a molecular weight of 472.51 g/mol. Its IUPAC name is (4R)-4-[3-[6-[2-[(2-methoxypyrimidin-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1,3-dimethylpiperidin-2-one.

Molecular Properties

Compound Name(4R)-4-[3-[6-[2-[(2-methoxypyrimidin-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1,3-dimethylpiperidin-2-one
PubChem CID170379344
Molecular FormulaC24H24N8O3
Molecular Weight472.51 g/mol
Exact Mass472.20
IUPAC Name(4R)-4-[3-[6-[2-[(2-methoxypyrimidin-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1,3-dimethylpiperidin-2-one
SMILESCOc1nccc(Nc2nccc(-c3cccc(-c4cc([C@@H]5CCN(C)C(=O)C5C)on4)n3)n2)n1
InChIInChI=1S/C24H24N8O3/c1-14-15(9-12-32(2)22(14)33)20-13-19(31-35-20)17-6-4-5-16(27-17)18-7-10-25-23(28-18)29-21-8-11-26-24(30-21)34-3/h4-8,10-11,13-15H,9,12H2,1-3H3,(H,25,26,28,29,30)/t14?,15-/m1/s1
InChIKeyFCXKNAAWMZCJBV-YSSOQSIOSA-N
XLogP3.32
TPSA132.05 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.51
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze (4R)-4-[3-[6-[2-[(2-methoxypyrimidin-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1,3-dimethylpiperidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(3S)-1-methyl-3-[3-[6-[2-[[(1S)-1-pyridin-4-ylethyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 170379580
(3S)-1-methyl-3-[3-[6-[2-[[(1R)-1-pyridin-4-ylethyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 170379578
(3S)-3-[3-[6-[2-[[(2S)-1-(3,3-difluoroazetidin-1-yl)-1-oxopropan-2-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one
CID 170384332
(3S)-3-[3-[6-[2-[[(1S)-1-imidazo[1,2-a]pyridin-7-ylethyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one
CID 170379695
(2S)-N-methyl-2-[[4-[6-[5-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]pyrimidin-2-yl]amino]-N-phenylpropanamide
CID 170384435
(3S)-3-[3-[6-[2-[[(1S)-1-imidazo[1,2-a]pyridin-6-ylethyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one
CID 170379577
3-[3-[6-[2-[(5-fluoro-2-pyridinyl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 170377444
3-[3-[6-[2-[(1-cyclopropylcyclopropyl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 177263167
(3R)-3-hydroxy-1-methyl-3-[3-[6-[2-[(6-methyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 170326771
(3R)-3-[3-[6-[2-[[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 177263085
4-[6-[5-[(3R)-1-methylpyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]-N-[1-(1H-pyrazol-5-yl)ethyl]pyrimidin-2-amine
CID 170573556
(3S)-1-methyl-3-[2-[6-[2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,3-thiazol-5-yl]pyrrolidin-2-one
CID 170573687

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[3-[6-[2-[(2-methoxypyrimidin-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1,3-dimethylpiperidin-2-one?
The IUPAC name of (4R)-4-[3-[6-[2-[(2-methoxypyrimidin-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1,3-dimethylpiperidin-2-one (CID 170379344) is (4R)-4-[3-[6-[2-[(2-methoxypyrimidin-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1,3-dimethylpiperidin-2-one.
What is the SMILES notation for (4R)-4-[3-[6-[2-[(2-methoxypyrimidin-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1,3-dimethylpiperidin-2-one?
The canonical SMILES for (4R)-4-[3-[6-[2-[(2-methoxypyrimidin-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1,3-dimethylpiperidin-2-one is COc1nccc(Nc2nccc(-c3cccc(-c4cc([C@@H]5CCN(C)C(=O)C5C)on4)n3)n2)n1.
What is the InChIKey of (4R)-4-[3-[6-[2-[(2-methoxypyrimidin-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1,3-dimethylpiperidin-2-one?
The InChIKey is FCXKNAAWMZCJBV-YSSOQSIOSA-N. The full InChI is InChI=1S/C24H24N8O3/c1-14-15(9-12-32(2)22(14)33)20-13-19(31-35-20)17-6-4-5-16(27-17)18-7-10-25-23(28-18)29-21-8-11-26-24(30-21)34-3/h4-8,10-11,13-15H,9,12H2,1-3H3,(H,25,26,28,29,30)/t14?,15-/m1/s1.
What are the key properties of (4R)-4-[3-[6-[2-[(2-methoxypyrimidin-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1,3-dimethylpiperidin-2-one?
(4R)-4-[3-[6-[2-[(2-methoxypyrimidin-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1,3-dimethylpiperidin-2-one has a molecular weight of 472.51 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[3-[6-[2-[(2-methoxypyrimidin-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1,3-dimethylpiperidin-2-one is sourced from PubChem (CID 170379344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).