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

C23H24N6O3 — CID 177263167

IUPAC3-[3-[6-[2-[(1-cyclopropylcyclopropyl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
SMILESCN1CCC(O)(c2cc(-c3cccc(-c4ccnc(NC5(C6CC6)CC5)n4)n3)no2)C1=O
InChIInChI=1S/C23H24N6O3/c1-29-12-10-23(31,20(29)30)19-13-18(28-32-19)16-4-2-3-15(25-16)17-7-11-24-21(26-17)27-22(8-9-22)14-5-6-14/h2-4,7,11,13-14,31H,5-6,8-10,12H2,1H3,(H,24,26,27)
InChIKeyCJHZBCUHYYCYRK-UHFFFAOYSA-N
MW432.48 g/mol
LogP2.60
Rot. Bonds6

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

3-[3-[6-[2-[(1-cyclopropylcyclopropyl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one (PubChem CID 177263167) has the molecular formula C23H24N6O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is 3-[3-[6-[2-[(1-cyclopropylcyclopropyl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[3-[6-[2-[(1-cyclopropylcyclopropyl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
PubChem CID177263167
Molecular FormulaC23H24N6O3
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC Name3-[3-[6-[2-[(1-cyclopropylcyclopropyl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
SMILESCN1CCC(O)(c2cc(-c3cccc(-c4ccnc(NC5(C6CC6)CC5)n4)n3)no2)C1=O
InChIInChI=1S/C23H24N6O3/c1-29-12-10-23(31,20(29)30)19-13-18(28-32-19)16-4-2-3-15(25-16)17-7-11-24-21(26-17)27-22(8-9-22)14-5-6-14/h2-4,7,11,13-14,31H,5-6,8-10,12H2,1H3,(H,24,26,27)
InChIKeyCJHZBCUHYYCYRK-UHFFFAOYSA-N
XLogP2.60
TPSA117.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[6-[2-[(1-cyclopropylcyclopropyl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one?
The IUPAC name of 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) is 3-[3-[6-[2-[(1-cyclopropylcyclopropyl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[3-[6-[2-[(1-cyclopropylcyclopropyl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[3-[6-[2-[(1-cyclopropylcyclopropyl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one is CN1CCC(O)(c2cc(-c3cccc(-c4ccnc(NC5(C6CC6)CC5)n4)n3)no2)C1=O.
What is the InChIKey of 3-[3-[6-[2-[(1-cyclopropylcyclopropyl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one?
The InChIKey is CJHZBCUHYYCYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3/c1-29-12-10-23(31,20(29)30)19-13-18(28-32-19)16-4-2-3-15(25-16)17-7-11-24-21(26-17)27-22(8-9-22)14-5-6-14/h2-4,7,11,13-14,31H,5-6,8-10,12H2,1H3,(H,24,26,27).
What are the key properties of 3-[3-[6-[2-[(1-cyclopropylcyclopropyl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one?
3-[3-[6-[2-[(1-cyclopropylcyclopropyl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one has a molecular weight of 432.48 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[6-[2-[(1-cyclopropylcyclopropyl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one is sourced from PubChem (CID 177263167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).