(3R)-3-hydroxy-3-[3-[6-[2-[[3-(methoxymethyl)-1-methylpyrazol-4-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one

C23H24N8O4 — CID 177263131

IUPAC(3R)-3-hydroxy-3-[3-[6-[2-[[3-(methoxymethyl)-1-methylpyrazol-4-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one
SMILESCOCc1nn(C)cc1Nc1nccc(-c2cccc(-c3cc([C@]4(O)CCN(C)C4=O)on3)n2)n1
InChIInChI=1S/C23H24N8O4/c1-30-10-8-23(33,21(30)32)20-11-17(29-35-20)15-6-4-5-14(25-15)16-7-9-24-22(26-16)27-18-12-31(2)28-19(18)13-34-3/h4-7,9,11-12,33H,8,10,13H2,1-3H3,(H,24,26,27)/t23-/m1/s1
InChIKeyVEWSOBAMUCNBFS-HSZRJFAPSA-N
MW476.50 g/mol
LogP1.87
Rot. Bonds7

About (3R)-3-hydroxy-3-[3-[6-[2-[[3-(methoxymethyl)-1-methylpyrazol-4-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one

(3R)-3-hydroxy-3-[3-[6-[2-[[3-(methoxymethyl)-1-methylpyrazol-4-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one (PubChem CID 177263131) has the molecular formula C23H24N8O4 and a molecular weight of 476.50 g/mol. Its IUPAC name is (3R)-3-hydroxy-3-[3-[6-[2-[[3-(methoxymethyl)-1-methylpyrazol-4-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-3-[3-[6-[2-[[3-(methoxymethyl)-1-methylpyrazol-4-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one
PubChem CID177263131
Molecular FormulaC23H24N8O4
Molecular Weight476.50 g/mol
Exact Mass476.19
IUPAC Name(3R)-3-hydroxy-3-[3-[6-[2-[[3-(methoxymethyl)-1-methylpyrazol-4-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one
SMILESCOCc1nn(C)cc1Nc1nccc(-c2cccc(-c3cc([C@]4(O)CCN(C)C4=O)on3)n2)n1
InChIInChI=1S/C23H24N8O4/c1-30-10-8-23(33,21(30)32)20-11-17(29-35-20)15-6-4-5-14(25-15)16-7-9-24-22(26-16)27-18-12-31(2)28-19(18)13-34-3/h4-7,9,11-12,33H,8,10,13H2,1-3H3,(H,24,26,27)/t23-/m1/s1
InChIKeyVEWSOBAMUCNBFS-HSZRJFAPSA-N
XLogP1.87
TPSA144.32 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.50
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze (3R)-3-hydroxy-3-[3-[6-[2-[[3-(methoxymethyl)-1-methylpyrazol-4-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-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

Related Compounds

(3R)-3-hydroxy-1-methyl-3-[3-[6-[2-[(3-methyl-1,2-oxazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 170326724
(3R)-4,4-difluoro-3-hydroxy-1-methyl-3-[3-[6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 170326996
(3R)-3-[3-[6-[2-[(5-cyclopropyl-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 170381889
(3R)-3-hydroxy-1-methyl-3-[3-[6-[2-[(3-methyl-1,2-thiazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 170381890
(3R)-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]-3-hydroxy-1-methylpyrrolidin-2-one
CID 170326184
(3R)-3-[3-[6-[2-[[1-(3,3-difluoroazetidin-1-yl)-1-oxopropan-2-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 170326186
3-[3-[6-[2-[[1-(3,3-Difluoroazetidin-1-yl)-1-oxopropan-2-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 170326188
(3R)-3-[3-[6-[2-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-4,4-difluoro-3-hydroxy-1-methylpyrrolidin-2-one
CID 170326268
3-[3-[6-[2-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-4,4-difluoro-3-hydroxy-1-methylpyrrolidin-2-one
CID 170326273
(3R)-3-[3-[6-[2-[[(2R)-1-(3,3-difluoropyrrolidin-1-yl)-1-oxopropan-2-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 170326281
(3R)-3-[3-[6-[2-[[1-(3,3-difluoropyrrolidin-1-yl)-1-oxopropan-2-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 170326284
3-[3-[6-[2-[[1-(3,3-Difluoropyrrolidin-1-yl)-1-oxopropan-2-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 170326288

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-3-[3-[6-[2-[[3-(methoxymethyl)-1-methylpyrazol-4-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one?
The IUPAC name of (3R)-3-hydroxy-3-[3-[6-[2-[[3-(methoxymethyl)-1-methylpyrazol-4-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one (CID 177263131) is (3R)-3-hydroxy-3-[3-[6-[2-[[3-(methoxymethyl)-1-methylpyrazol-4-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for (3R)-3-hydroxy-3-[3-[6-[2-[[3-(methoxymethyl)-1-methylpyrazol-4-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one?
The canonical SMILES for (3R)-3-hydroxy-3-[3-[6-[2-[[3-(methoxymethyl)-1-methylpyrazol-4-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one is COCc1nn(C)cc1Nc1nccc(-c2cccc(-c3cc([C@]4(O)CCN(C)C4=O)on3)n2)n1.
What is the InChIKey of (3R)-3-hydroxy-3-[3-[6-[2-[[3-(methoxymethyl)-1-methylpyrazol-4-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one?
The InChIKey is VEWSOBAMUCNBFS-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H24N8O4/c1-30-10-8-23(33,21(30)32)20-11-17(29-35-20)15-6-4-5-14(25-15)16-7-9-24-22(26-16)27-18-12-31(2)28-19(18)13-34-3/h4-7,9,11-12,33H,8,10,13H2,1-3H3,(H,24,26,27)/t23-/m1/s1.
What are the key properties of (3R)-3-hydroxy-3-[3-[6-[2-[[3-(methoxymethyl)-1-methylpyrazol-4-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one?
(3R)-3-hydroxy-3-[3-[6-[2-[[3-(methoxymethyl)-1-methylpyrazol-4-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one has a molecular weight of 476.50 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-3-[3-[6-[2-[[3-(methoxymethyl)-1-methylpyrazol-4-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 177263131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).