1-[(2S)-2-hydroxy-3-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)propyl]pyrrolidin-2-one

C13H20N4O2 — CID 122155597

IUPAC1-[(2S)-2-hydroxy-3-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)propyl]pyrrolidin-2-one
SMILESO=C1CCCN1C[C@@H](O)CN1CCCc2[nH]ncc21
InChIInChI=1S/C13H20N4O2/c18-10(9-17-6-2-4-13(17)19)8-16-5-1-3-11-12(16)7-14-15-11/h7,10,18H,1-6,8-9H2,(H,14,15)/t10-/m0/s1
InChIKeyAXGLZDUSDDUCSC-JTQLQIEISA-N
MW264.33 g/mol
LogP0.15
Rot. Bonds4

About 1-[(2S)-2-hydroxy-3-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)propyl]pyrrolidin-2-one

1-[(2S)-2-hydroxy-3-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)propyl]pyrrolidin-2-one (PubChem CID 122155597) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-[(2S)-2-hydroxy-3-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2S)-2-hydroxy-3-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)propyl]pyrrolidin-2-one
PubChem CID122155597
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name1-[(2S)-2-hydroxy-3-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)propyl]pyrrolidin-2-one
SMILESO=C1CCCN1C[C@@H](O)CN1CCCc2[nH]ncc21
InChIInChI=1S/C13H20N4O2/c18-10(9-17-6-2-4-13(17)19)8-16-5-1-3-11-12(16)7-14-15-11/h7,10,18H,1-6,8-9H2,(H,14,15)/t10-/m0/s1
InChIKeyAXGLZDUSDDUCSC-JTQLQIEISA-N
XLogP0.15
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-hydroxy-3-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)propyl]pyrrolidin-2-one?
The IUPAC name of 1-[(2S)-2-hydroxy-3-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)propyl]pyrrolidin-2-one (CID 122155597) is 1-[(2S)-2-hydroxy-3-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(2S)-2-hydroxy-3-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(2S)-2-hydroxy-3-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)propyl]pyrrolidin-2-one is O=C1CCCN1C[C@@H](O)CN1CCCc2[nH]ncc21.
What is the InChIKey of 1-[(2S)-2-hydroxy-3-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)propyl]pyrrolidin-2-one?
The InChIKey is AXGLZDUSDDUCSC-JTQLQIEISA-N. The full InChI is InChI=1S/C13H20N4O2/c18-10(9-17-6-2-4-13(17)19)8-16-5-1-3-11-12(16)7-14-15-11/h7,10,18H,1-6,8-9H2,(H,14,15)/t10-/m0/s1.
What are the key properties of 1-[(2S)-2-hydroxy-3-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)propyl]pyrrolidin-2-one?
1-[(2S)-2-hydroxy-3-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)propyl]pyrrolidin-2-one has a molecular weight of 264.33 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-hydroxy-3-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)propyl]pyrrolidin-2-one is sourced from PubChem (CID 122155597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).