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

C23H25N7O4 — CID 170326172

IUPAC(3R)-3-[3-[6-[2-[[(2R)-1-(azetidin-1-yl)-1-oxopropan-2-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
SMILESC[C@@H](Nc1nccc(-c2cccc(-c3cc([C@]4(O)CCN(C)C4=O)on3)n2)n1)C(=O)N1CCC1
InChIInChI=1S/C23H25N7O4/c1-14(20(31)30-10-4-11-30)25-22-24-9-7-17(27-22)15-5-3-6-16(26-15)18-13-19(34-28-18)23(33)8-12-29(2)21(23)32/h3,5-7,9,13-14,33H,4,8,10-12H2,1-2H3,(H,24,25,27)/t14-,23-/m1/s1
InChIKeyXKANHXOGNYZGTE-QKFKETGDSA-N
MW463.50 g/mol
LogP1.28
Rot. Bonds6

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

(3R)-3-[3-[6-[2-[[(2R)-1-(azetidin-1-yl)-1-oxopropan-2-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one (PubChem CID 170326172) has the molecular formula C23H25N7O4 and a molecular weight of 463.50 g/mol. Its IUPAC name is (3R)-3-[3-[6-[2-[[(2R)-1-(azetidin-1-yl)-1-oxopropan-2-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-[3-[6-[2-[[(2R)-1-(azetidin-1-yl)-1-oxopropan-2-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
PubChem CID170326172
Molecular FormulaC23H25N7O4
Molecular Weight463.50 g/mol
Exact Mass463.20
IUPAC Name(3R)-3-[3-[6-[2-[[(2R)-1-(azetidin-1-yl)-1-oxopropan-2-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
SMILESC[C@@H](Nc1nccc(-c2cccc(-c3cc([C@]4(O)CCN(C)C4=O)on3)n2)n1)C(=O)N1CCC1
InChIInChI=1S/C23H25N7O4/c1-14(20(31)30-10-4-11-30)25-22-24-9-7-17(27-22)15-5-3-6-16(26-15)18-13-19(34-28-18)23(33)8-12-29(2)21(23)32/h3,5-7,9,13-14,33H,4,8,10-12H2,1-2H3,(H,24,25,27)/t14-,23-/m1/s1
InChIKeyXKANHXOGNYZGTE-QKFKETGDSA-N
XLogP1.28
TPSA137.58 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.50
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (3R)-3-[3-[6-[2-[[(2R)-1-(azetidin-1-yl)-1-oxopropan-2-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[3-[6-[2-[[(2R)-1-(azetidin-1-yl)-1-oxopropan-2-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one?
The IUPAC name of (3R)-3-[3-[6-[2-[[(2R)-1-(azetidin-1-yl)-1-oxopropan-2-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one (CID 170326172) is (3R)-3-[3-[6-[2-[[(2R)-1-(azetidin-1-yl)-1-oxopropan-2-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one.
What is the SMILES notation for (3R)-3-[3-[6-[2-[[(2R)-1-(azetidin-1-yl)-1-oxopropan-2-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one?
The canonical SMILES for (3R)-3-[3-[6-[2-[[(2R)-1-(azetidin-1-yl)-1-oxopropan-2-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one is C[C@@H](Nc1nccc(-c2cccc(-c3cc([C@]4(O)CCN(C)C4=O)on3)n2)n1)C(=O)N1CCC1.
What is the InChIKey of (3R)-3-[3-[6-[2-[[(2R)-1-(azetidin-1-yl)-1-oxopropan-2-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one?
The InChIKey is XKANHXOGNYZGTE-QKFKETGDSA-N. The full InChI is InChI=1S/C23H25N7O4/c1-14(20(31)30-10-4-11-30)25-22-24-9-7-17(27-22)15-5-3-6-16(26-15)18-13-19(34-28-18)23(33)8-12-29(2)21(23)32/h3,5-7,9,13-14,33H,4,8,10-12H2,1-2H3,(H,24,25,27)/t14-,23-/m1/s1.
What are the key properties of (3R)-3-[3-[6-[2-[[(2R)-1-(azetidin-1-yl)-1-oxopropan-2-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one?
(3R)-3-[3-[6-[2-[[(2R)-1-(azetidin-1-yl)-1-oxopropan-2-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one has a molecular weight of 463.50 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[3-[6-[2-[[(2R)-1-(azetidin-1-yl)-1-oxopropan-2-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one is sourced from PubChem (CID 170326172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).