(5S)-5-[2-[2-(1H-pyrazol-4-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione

C13H9N5O2 — CID 70889779

IUPAC(5S)-5-[2-[2-(1H-pyrazol-4-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@H](C#Cc2cccnc2-c2cn[nH]c2)N1
InChIInChI=1S/C13H9N5O2/c19-12-10(17-13(20)18-12)4-3-8-2-1-5-14-11(8)9-6-15-16-7-9/h1-2,5-7,10H,(H,15,16)(H2,17,18,19,20)/t10-/m0/s1
InChIKeyORRSXVVPMVUMAR-JTQLQIEISA-N
MW267.25 g/mol
LogP0.03
Rot. Bonds1

About (5S)-5-[2-[2-(1H-pyrazol-4-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione

(5S)-5-[2-[2-(1H-pyrazol-4-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione (PubChem CID 70889779) has the molecular formula C13H9N5O2 and a molecular weight of 267.25 g/mol. Its IUPAC name is (5S)-5-[2-[2-(1H-pyrazol-4-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[2-[2-(1H-pyrazol-4-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione
PubChem CID70889779
Molecular FormulaC13H9N5O2
Molecular Weight267.25 g/mol
Exact Mass267.08
IUPAC Name(5S)-5-[2-[2-(1H-pyrazol-4-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@H](C#Cc2cccnc2-c2cn[nH]c2)N1
InChIInChI=1S/C13H9N5O2/c19-12-10(17-13(20)18-12)4-3-8-2-1-5-14-11(8)9-6-15-16-7-9/h1-2,5-7,10H,(H,15,16)(H2,17,18,19,20)/t10-/m0/s1
InChIKeyORRSXVVPMVUMAR-JTQLQIEISA-N
XLogP0.03
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[2-[2-(1H-pyrazol-4-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[2-[2-(1H-pyrazol-4-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione (CID 70889779) is (5S)-5-[2-[2-(1H-pyrazol-4-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[2-[2-(1H-pyrazol-4-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[2-[2-(1H-pyrazol-4-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione is O=C1NC(=O)[C@H](C#Cc2cccnc2-c2cn[nH]c2)N1.
What is the InChIKey of (5S)-5-[2-[2-(1H-pyrazol-4-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione?
The InChIKey is ORRSXVVPMVUMAR-JTQLQIEISA-N. The full InChI is InChI=1S/C13H9N5O2/c19-12-10(17-13(20)18-12)4-3-8-2-1-5-14-11(8)9-6-15-16-7-9/h1-2,5-7,10H,(H,15,16)(H2,17,18,19,20)/t10-/m0/s1.
What are the key properties of (5S)-5-[2-[2-(1H-pyrazol-4-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione?
(5S)-5-[2-[2-(1H-pyrazol-4-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione has a molecular weight of 267.25 g/mol, XLogP of 0.03, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[2-[2-(1H-pyrazol-4-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione is sourced from PubChem (CID 70889779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).