(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

C23H24N8O3 — CID 170326194

IUPAC(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
SMILESCC(Nc1nccc(-c2cccc(-c3cc([C@]4(O)CCN(C)C4=O)on3)n2)n1)c1cnn(C)c1
InChIInChI=1S/C23H24N8O3/c1-14(15-12-25-31(3)13-15)26-22-24-9-7-18(28-22)16-5-4-6-17(27-16)19-11-20(34-29-19)23(33)8-10-30(2)21(23)32/h4-7,9,11-14,33H,8,10H2,1-3H3,(H,24,26,28)/t14?,23-/m1/s1
InChIKeyRIPVJKIRSFHXSK-NLPMCADVSA-N
MW460.50 g/mol
LogP2.15
Rot. Bonds6

About (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

(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 (PubChem CID 170326194) has the molecular formula C23H24N8O3 and a molecular weight of 460.50 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID170326194
Molecular FormulaC23H24N8O3
Molecular Weight460.50 g/mol
Exact Mass460.20
IUPAC Name(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
SMILESCC(Nc1nccc(-c2cccc(-c3cc([C@]4(O)CCN(C)C4=O)on3)n2)n1)c1cnn(C)c1
InChIInChI=1S/C23H24N8O3/c1-14(15-12-25-31(3)13-15)26-22-24-9-7-18(28-22)16-5-4-6-17(27-16)19-11-20(34-29-19)23(33)8-10-30(2)21(23)32/h4-7,9,11-14,33H,8,10H2,1-3H3,(H,24,26,28)/t14?,23-/m1/s1
InChIKeyRIPVJKIRSFHXSK-NLPMCADVSA-N
XLogP2.15
TPSA135.09 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.50
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(Nc1nccc(-c2cccc(-c3cc([C@]4(O)CCN(C)C4=O)on3)n2)n1)c1cnn(C)c1.
What is the InChIKey of (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?
The InChIKey is RIPVJKIRSFHXSK-NLPMCADVSA-N. The full InChI is InChI=1S/C23H24N8O3/c1-14(15-12-25-31(3)13-15)26-22-24-9-7-18(28-22)16-5-4-6-17(27-16)19-11-20(34-29-19)23(33)8-10-30(2)21(23)32/h4-7,9,11-14,33H,8,10H2,1-3H3,(H,24,26,28)/t14?,23-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 460.50 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 170326194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).