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

C24H26FN7O4 — CID 170326998

IUPAC(3R)-3-[3-[6-[2-[[1-(3-fluoro-3-methylazetidin-1-yl)-1-oxopropan-2-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
SMILESCC(Nc1nccc(-c2cccc(-c3cc([C@]4(O)CCN(C)C4=O)on3)n2)n1)C(=O)N1CC(C)(F)C1
InChIInChI=1S/C24H26FN7O4/c1-14(20(33)32-12-23(2,25)13-32)27-22-26-9-7-17(29-22)15-5-4-6-16(28-15)18-11-19(36-30-18)24(35)8-10-31(3)21(24)34/h4-7,9,11,14,35H,8,10,12-13H2,1-3H3,(H,26,27,29)/t14?,24-/m1/s1
InChIKeyPNJUZNDYCPCYSH-PYFQUHSISA-N
MW495.52 g/mol
LogP1.61
Rot. Bonds6

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

(3R)-3-[3-[6-[2-[[1-(3-fluoro-3-methylazetidin-1-yl)-1-oxopropan-2-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one (PubChem CID 170326998) has the molecular formula C24H26FN7O4 and a molecular weight of 495.52 g/mol. Its IUPAC name is (3R)-3-[3-[6-[2-[[1-(3-fluoro-3-methylazetidin-1-yl)-1-oxopropan-2-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-[3-[6-[2-[[1-(3-fluoro-3-methylazetidin-1-yl)-1-oxopropan-2-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
PubChem CID170326998
Molecular FormulaC24H26FN7O4
Molecular Weight495.52 g/mol
Exact Mass495.20
IUPAC Name(3R)-3-[3-[6-[2-[[1-(3-fluoro-3-methylazetidin-1-yl)-1-oxopropan-2-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
SMILESCC(Nc1nccc(-c2cccc(-c3cc([C@]4(O)CCN(C)C4=O)on3)n2)n1)C(=O)N1CC(C)(F)C1
InChIInChI=1S/C24H26FN7O4/c1-14(20(33)32-12-23(2,25)13-32)27-22-26-9-7-17(29-22)15-5-4-6-16(28-15)18-11-19(36-30-18)24(35)8-10-31(3)21(24)34/h4-7,9,11,14,35H,8,10,12-13H2,1-3H3,(H,26,27,29)/t14?,24-/m1/s1
InChIKeyPNJUZNDYCPCYSH-PYFQUHSISA-N
XLogP1.61
TPSA137.58 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.52
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (3R)-3-[3-[6-[2-[[1-(3-fluoro-3-methylazetidin-1-yl)-1-oxopropan-2-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(3R)-3-[3-[6-[2-[[(2R)-1-(azetidin-1-yl)-1-oxopropan-2-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 170326172
3-hydroxy-1-methyl-3-[3-[6-[2-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 170326404
(3R)-3-hydroxy-1-methyl-3-[3-[6-[2-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 170326743
3-hydroxy-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 170326952
(3R)-3-hydroxy-1-methyl-3-[3-[6-[2-[1-(1-methylpyrazol-4-yl)ethylamino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 170326194
3-hydroxy-1-methyl-3-[3-[6-[2-[1-(1-methylpyrazol-3-yl)ethylamino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 177263070
3-hydroxy-1-methyl-3-[3-[6-[2-[1-(1-methylpyrazol-4-yl)ethylamino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 170326367
3-hydroxy-1-methyl-3-[3-[6-[2-[[(1R)-1-(1H-pyrazol-4-yl)ethyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 170326874
3-hydroxy-1-methyl-3-[3-[6-[2-[[(1S)-1-(1H-pyrazol-4-yl)ethyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 170326976
(3R)-3-[3-[6-[2-[[cyclopropyl(pyridin-2-yl)methyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 170381136
(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
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

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[3-[6-[2-[[1-(3-fluoro-3-methylazetidin-1-yl)-1-oxopropan-2-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one?
The IUPAC name of (3R)-3-[3-[6-[2-[[1-(3-fluoro-3-methylazetidin-1-yl)-1-oxopropan-2-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one (CID 170326998) is (3R)-3-[3-[6-[2-[[1-(3-fluoro-3-methylazetidin-1-yl)-1-oxopropan-2-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one.
What is the SMILES notation for (3R)-3-[3-[6-[2-[[1-(3-fluoro-3-methylazetidin-1-yl)-1-oxopropan-2-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one?
The canonical SMILES for (3R)-3-[3-[6-[2-[[1-(3-fluoro-3-methylazetidin-1-yl)-1-oxopropan-2-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one is CC(Nc1nccc(-c2cccc(-c3cc([C@]4(O)CCN(C)C4=O)on3)n2)n1)C(=O)N1CC(C)(F)C1.
What is the InChIKey of (3R)-3-[3-[6-[2-[[1-(3-fluoro-3-methylazetidin-1-yl)-1-oxopropan-2-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one?
The InChIKey is PNJUZNDYCPCYSH-PYFQUHSISA-N. The full InChI is InChI=1S/C24H26FN7O4/c1-14(20(33)32-12-23(2,25)13-32)27-22-26-9-7-17(29-22)15-5-4-6-16(28-15)18-11-19(36-30-18)24(35)8-10-31(3)21(24)34/h4-7,9,11,14,35H,8,10,12-13H2,1-3H3,(H,26,27,29)/t14?,24-/m1/s1.
What are the key properties of (3R)-3-[3-[6-[2-[[1-(3-fluoro-3-methylazetidin-1-yl)-1-oxopropan-2-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one?
(3R)-3-[3-[6-[2-[[1-(3-fluoro-3-methylazetidin-1-yl)-1-oxopropan-2-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one has a molecular weight of 495.52 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[3-[6-[2-[[1-(3-fluoro-3-methylazetidin-1-yl)-1-oxopropan-2-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one is sourced from PubChem (CID 170326998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).