(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

C24H24N8O4 — CID 170326771

IUPAC(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
SMILESCC1Cn2nc(Nc3nccc(-c4cccc(-c5cc([C@]6(O)CCN(C)C6=O)on5)n4)n3)cc2CO1
InChIInChI=1S/C24H24N8O4/c1-14-12-32-15(13-35-14)10-21(29-32)28-23-25-8-6-18(27-23)16-4-3-5-17(26-16)19-11-20(36-30-19)24(34)7-9-31(2)22(24)33/h3-6,8,10-11,14,34H,7,9,12-13H2,1-2H3,(H,25,27,28,29)/t14?,24-/m1/s1
InChIKeyYAAQLUPBXLMXPH-PYFQUHSISA-N
MW488.51 g/mol
LogP2.10
Rot. Bonds5

About (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

(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 (PubChem CID 170326771) has the molecular formula C24H24N8O4 and a molecular weight of 488.51 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID170326771
Molecular FormulaC24H24N8O4
Molecular Weight488.51 g/mol
Exact Mass488.19
IUPAC Name(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
SMILESCC1Cn2nc(Nc3nccc(-c4cccc(-c5cc([C@]6(O)CCN(C)C6=O)on5)n4)n3)cc2CO1
InChIInChI=1S/C24H24N8O4/c1-14-12-32-15(13-35-14)10-21(29-32)28-23-25-8-6-18(27-23)16-4-3-5-17(26-16)19-11-20(36-30-19)24(34)7-9-31(2)22(24)33/h3-6,8,10-11,14,34H,7,9,12-13H2,1-2H3,(H,25,27,28,29)/t14?,24-/m1/s1
InChIKeyYAAQLUPBXLMXPH-PYFQUHSISA-N
XLogP2.10
TPSA144.32 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.51
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze (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 with MolForge

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Launch Full Analysis

Related Compounds

3-hydroxy-1-methyl-3-[3-[6-[2-(1H-pyrazol-5-ylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 170326335
3-[3-[3-[2-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylamino)pyrimidin-4-yl]phenyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 170326207
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
(3R)-3-hydroxy-1-methyl-3-[3-[6-[2-[(1-methyl-1,2,4-triazol-3-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 170380706
(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
(3R)-3-[3-[6-[2-[[5-[(dimethylamino)methyl]-2-pyridinyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 170380551
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
3-hydroxy-1-methyl-3-[3-[6-[2-[(2-methylcyclohexyl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 170377882
(3R)-3-hydroxy-1-methyl-3-[3-[6-[2-[(5-methyl-1,2,4-triazin-3-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 170385783
3-[3-[6-[2-[[1-(difluoromethyl)-3-methylpyrazol-4-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 170326990
3-hydroxy-1-methyl-3-[3-[6-[2-[[5-(5-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 170326826
(3R)-3-[3-[6-[2-[(5-chloro-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 170380619

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC1Cn2nc(Nc3nccc(-c4cccc(-c5cc([C@]6(O)CCN(C)C6=O)on5)n4)n3)cc2CO1.
What is the InChIKey of (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?
The InChIKey is YAAQLUPBXLMXPH-PYFQUHSISA-N. The full InChI is InChI=1S/C24H24N8O4/c1-14-12-32-15(13-35-14)10-21(29-32)28-23-25-8-6-18(27-23)16-4-3-5-17(26-16)19-11-20(36-30-19)24(34)7-9-31(2)22(24)33/h3-6,8,10-11,14,34H,7,9,12-13H2,1-2H3,(H,25,27,28,29)/t14?,24-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 488.51 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 170326771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).