3-hydroxy-1-methyl-3-[3-[6-[2-(5-oxaspiro[2.4]heptan-2-ylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one

C23H24N6O4 — CID 170377897

IUPAC3-hydroxy-1-methyl-3-[3-[6-[2-(5-oxaspiro[2.4]heptan-2-ylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one
SMILESCN1CCC(O)(c2cc(-c3cccc(-c4ccnc(NC5CC56CCOC6)n4)n3)no2)C1=O
InChIInChI=1S/C23H24N6O4/c1-29-9-6-23(31,20(29)30)19-11-17(28-33-19)15-4-2-3-14(25-15)16-5-8-24-21(26-16)27-18-12-22(18)7-10-32-13-22/h2-5,8,11,18,31H,6-7,9-10,12-13H2,1H3,(H,24,26,27)
InChIKeyCDVSVEOHGIVGKZ-UHFFFAOYSA-N
MW448.48 g/mol
LogP1.83
Rot. Bonds5

About 3-hydroxy-1-methyl-3-[3-[6-[2-(5-oxaspiro[2.4]heptan-2-ylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one

3-hydroxy-1-methyl-3-[3-[6-[2-(5-oxaspiro[2.4]heptan-2-ylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one (PubChem CID 170377897) has the molecular formula C23H24N6O4 and a molecular weight of 448.48 g/mol. Its IUPAC name is 3-hydroxy-1-methyl-3-[3-[6-[2-(5-oxaspiro[2.4]heptan-2-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-(5-oxaspiro[2.4]heptan-2-ylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one
PubChem CID170377897
Molecular FormulaC23H24N6O4
Molecular Weight448.48 g/mol
Exact Mass448.19
IUPAC Name3-hydroxy-1-methyl-3-[3-[6-[2-(5-oxaspiro[2.4]heptan-2-ylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one
SMILESCN1CCC(O)(c2cc(-c3cccc(-c4ccnc(NC5CC56CCOC6)n4)n3)no2)C1=O
InChIInChI=1S/C23H24N6O4/c1-29-9-6-23(31,20(29)30)19-11-17(28-33-19)15-4-2-3-14(25-15)16-5-8-24-21(26-16)27-18-12-22(18)7-10-32-13-22/h2-5,8,11,18,31H,6-7,9-10,12-13H2,1H3,(H,24,26,27)
InChIKeyCDVSVEOHGIVGKZ-UHFFFAOYSA-N
XLogP1.83
TPSA126.50 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-methyl-3-[3-[6-[2-(5-oxaspiro[2.4]heptan-2-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-(5-oxaspiro[2.4]heptan-2-ylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one (CID 170377897) is 3-hydroxy-1-methyl-3-[3-[6-[2-(5-oxaspiro[2.4]heptan-2-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-(5-oxaspiro[2.4]heptan-2-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-(5-oxaspiro[2.4]heptan-2-ylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one is CN1CCC(O)(c2cc(-c3cccc(-c4ccnc(NC5CC56CCOC6)n4)n3)no2)C1=O.
What is the InChIKey of 3-hydroxy-1-methyl-3-[3-[6-[2-(5-oxaspiro[2.4]heptan-2-ylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one?
The InChIKey is CDVSVEOHGIVGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O4/c1-29-9-6-23(31,20(29)30)19-11-17(28-33-19)15-4-2-3-14(25-15)16-5-8-24-21(26-16)27-18-12-22(18)7-10-32-13-22/h2-5,8,11,18,31H,6-7,9-10,12-13H2,1H3,(H,24,26,27).
What are the key properties of 3-hydroxy-1-methyl-3-[3-[6-[2-(5-oxaspiro[2.4]heptan-2-ylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one?
3-hydroxy-1-methyl-3-[3-[6-[2-(5-oxaspiro[2.4]heptan-2-ylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one has a molecular weight of 448.48 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 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-(5-oxaspiro[2.4]heptan-2-ylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one is sourced from PubChem (CID 170377897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).