3,4,4-trimethyl-1-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-2-pyridinyl]imidazolidin-2-one

C17H19N5O — CID 53494024

IUPAC3,4,4-trimethyl-1-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-2-pyridinyl]imidazolidin-2-one
SMILESCN1C(=O)N(c2ccc(C#Cc3cnn(C)c3)cn2)CC1(C)C
InChIInChI=1S/C17H19N5O/c1-17(2)12-22(16(23)21(17)4)15-8-7-13(9-18-15)5-6-14-10-19-20(3)11-14/h7-11H,12H2,1-4H3
InChIKeyFGFZTQXFKXNZHI-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.87
Rot. Bonds1

About 3,4,4-trimethyl-1-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-2-pyridinyl]imidazolidin-2-one

3,4,4-trimethyl-1-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-2-pyridinyl]imidazolidin-2-one (PubChem CID 53494024) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 3,4,4-trimethyl-1-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-2-pyridinyl]imidazolidin-2-one.

Molecular Properties

Compound Name3,4,4-trimethyl-1-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-2-pyridinyl]imidazolidin-2-one
PubChem CID53494024
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name3,4,4-trimethyl-1-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-2-pyridinyl]imidazolidin-2-one
SMILESCN1C(=O)N(c2ccc(C#Cc3cnn(C)c3)cn2)CC1(C)C
InChIInChI=1S/C17H19N5O/c1-17(2)12-22(16(23)21(17)4)15-8-7-13(9-18-15)5-6-14-10-19-20(3)11-14/h7-11H,12H2,1-4H3
InChIKeyFGFZTQXFKXNZHI-UHFFFAOYSA-N
XLogP1.87
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4,4-trimethyl-1-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-2-pyridinyl]imidazolidin-2-one?
The IUPAC name of 3,4,4-trimethyl-1-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-2-pyridinyl]imidazolidin-2-one (CID 53494024) is 3,4,4-trimethyl-1-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-2-pyridinyl]imidazolidin-2-one.
What is the SMILES notation for 3,4,4-trimethyl-1-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-2-pyridinyl]imidazolidin-2-one?
The canonical SMILES for 3,4,4-trimethyl-1-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-2-pyridinyl]imidazolidin-2-one is CN1C(=O)N(c2ccc(C#Cc3cnn(C)c3)cn2)CC1(C)C.
What is the InChIKey of 3,4,4-trimethyl-1-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-2-pyridinyl]imidazolidin-2-one?
The InChIKey is FGFZTQXFKXNZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-17(2)12-22(16(23)21(17)4)15-8-7-13(9-18-15)5-6-14-10-19-20(3)11-14/h7-11H,12H2,1-4H3.
What are the key properties of 3,4,4-trimethyl-1-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-2-pyridinyl]imidazolidin-2-one?
3,4,4-trimethyl-1-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-2-pyridinyl]imidazolidin-2-one has a molecular weight of 309.37 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4-trimethyl-1-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-2-pyridinyl]imidazolidin-2-one is sourced from PubChem (CID 53494024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).