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

C20H18N8O3 — CID 170326335

IUPAC3-hydroxy-1-methyl-3-[3-[6-[2-(1H-pyrazol-5-ylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one
SMILESCN1CCC(O)(c2cc(-c3cccc(-c4ccnc(Nc5ccn[nH]5)n4)n3)no2)C1=O
InChIInChI=1S/C20H18N8O3/c1-28-10-7-20(30,18(28)29)16-11-15(27-31-16)13-4-2-3-12(23-13)14-5-8-21-19(24-14)25-17-6-9-22-26-17/h2-6,8-9,11,30H,7,10H2,1H3,(H2,21,22,24,25,26)
InChIKeyWWDFHGAJGCDYHQ-UHFFFAOYSA-N
MW418.42 g/mol
LogP1.71
Rot. Bonds5

About 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

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 (PubChem CID 170326335) has the molecular formula C20H18N8O3 and a molecular weight of 418.42 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-hydroxy-1-methyl-3-[3-[6-[2-(1H-pyrazol-5-ylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one
PubChem CID170326335
Molecular FormulaC20H18N8O3
Molecular Weight418.42 g/mol
Exact Mass418.15
IUPAC Name3-hydroxy-1-methyl-3-[3-[6-[2-(1H-pyrazol-5-ylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one
SMILESCN1CCC(O)(c2cc(-c3cccc(-c4ccnc(Nc5ccn[nH]5)n4)n3)no2)C1=O
InChIInChI=1S/C20H18N8O3/c1-28-10-7-20(30,18(28)29)16-11-15(27-31-16)13-4-2-3-12(23-13)14-5-8-21-19(24-14)25-17-6-9-22-26-17/h2-6,8-9,11,30H,7,10H2,1H3,(H2,21,22,24,25,26)
InChIKeyWWDFHGAJGCDYHQ-UHFFFAOYSA-N
XLogP1.71
TPSA145.95 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.42
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

(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
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-[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
(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-cyclopropylcyclopropyl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 177263167
3-[3-[6-[2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 170377252
(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-hydroxy-1-methyl-3-[3-[6-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 170380496
(3R)-3-[3-[6-[2-[(1-ethyl-5-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 170380295
3-[3-[6-[2-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 177263081
(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
(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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN1CCC(O)(c2cc(-c3cccc(-c4ccnc(Nc5ccn[nH]5)n4)n3)no2)C1=O.
What is the InChIKey of 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?
The InChIKey is WWDFHGAJGCDYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N8O3/c1-28-10-7-20(30,18(28)29)16-11-15(27-31-16)13-4-2-3-12(23-13)14-5-8-21-19(24-14)25-17-6-9-22-26-17/h2-6,8-9,11,30H,7,10H2,1H3,(H2,21,22,24,25,26).
What are the key properties of 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?
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 has a molecular weight of 418.42 g/mol, XLogP of 1.71, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170326335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).