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

C23H26N6O5 — CID 170377964

IUPAC3-hydroxy-3-[3-[6-[2-[(3-methoxyoxan-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one
SMILESCOC1COCCC1Nc1nccc(-c2cccc(-c3cc(C4(O)CCN(C)C4=O)on3)n2)n1
InChIInChI=1S/C23H26N6O5/c1-29-10-8-23(31,21(29)30)20-12-18(28-34-20)15-5-3-4-14(25-15)16-6-9-24-22(26-16)27-17-7-11-33-13-19(17)32-2/h3-6,9,12,17,19,31H,7-8,10-11,13H2,1-2H3,(H,24,26,27)
InChIKeyRMZXMQHDAKLCBC-UHFFFAOYSA-N
MW466.50 g/mol
LogP1.46
Rot. Bonds6

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

3-hydroxy-3-[3-[6-[2-[(3-methoxyoxan-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one (PubChem CID 170377964) has the molecular formula C23H26N6O5 and a molecular weight of 466.50 g/mol. Its IUPAC name is 3-hydroxy-3-[3-[6-[2-[(3-methoxyoxan-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-hydroxy-3-[3-[6-[2-[(3-methoxyoxan-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one
PubChem CID170377964
Molecular FormulaC23H26N6O5
Molecular Weight466.50 g/mol
Exact Mass466.20
IUPAC Name3-hydroxy-3-[3-[6-[2-[(3-methoxyoxan-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one
SMILESCOC1COCCC1Nc1nccc(-c2cccc(-c3cc(C4(O)CCN(C)C4=O)on3)n2)n1
InChIInChI=1S/C23H26N6O5/c1-29-10-8-23(31,21(29)30)20-12-18(28-34-20)15-5-3-4-14(25-15)16-6-9-24-22(26-16)27-17-7-11-33-13-19(17)32-2/h3-6,9,12,17,19,31H,7-8,10-11,13H2,1-2H3,(H,24,26,27)
InChIKeyRMZXMQHDAKLCBC-UHFFFAOYSA-N
XLogP1.46
TPSA135.73 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.50
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-[3-[6-[2-[(3-methoxyoxan-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-hydroxy-3-[3-[6-[2-[(3-methoxyoxan-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one (CID 170377964) is 3-hydroxy-3-[3-[6-[2-[(3-methoxyoxan-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-hydroxy-3-[3-[6-[2-[(3-methoxyoxan-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-hydroxy-3-[3-[6-[2-[(3-methoxyoxan-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one is COC1COCCC1Nc1nccc(-c2cccc(-c3cc(C4(O)CCN(C)C4=O)on3)n2)n1.
What is the InChIKey of 3-hydroxy-3-[3-[6-[2-[(3-methoxyoxan-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one?
The InChIKey is RMZXMQHDAKLCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O5/c1-29-10-8-23(31,21(29)30)20-12-18(28-34-20)15-5-3-4-14(25-15)16-6-9-24-22(26-16)27-17-7-11-33-13-19(17)32-2/h3-6,9,12,17,19,31H,7-8,10-11,13H2,1-2H3,(H,24,26,27).
What are the key properties of 3-hydroxy-3-[3-[6-[2-[(3-methoxyoxan-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one?
3-hydroxy-3-[3-[6-[2-[(3-methoxyoxan-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one has a molecular weight of 466.50 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-[3-[6-[2-[(3-methoxyoxan-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 170377964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).