3-[1-[(2,4-dimethylazet-3-yl)methyl]pyrazol-4-yl]-1-[(6-methoxy-2-pyridinyl)methyl]imidazolidine-2,4-dione

C19H20N6O3 — CID 118075056

IUPAC3-[1-[(2,4-dimethylazet-3-yl)methyl]pyrazol-4-yl]-1-[(6-methoxy-2-pyridinyl)methyl]imidazolidine-2,4-dione
SMILESCOc1cccc(CN2CC(=O)N(c3cnn(CC4=C(C)N=C4C)c3)C2=O)n1
InChIInChI=1S/C19H20N6O3/c1-12-16(13(2)21-12)10-24-9-15(7-20-24)25-18(26)11-23(19(25)27)8-14-5-4-6-17(22-14)28-3/h4-7,9H,8,10-11H2,1-3H3
InChIKeyVQEWABJLPJWIOY-UHFFFAOYSA-N
MW380.41 g/mol
LogP2.00
Rot. Bonds6

About 3-[1-[(2,4-dimethylazet-3-yl)methyl]pyrazol-4-yl]-1-[(6-methoxy-2-pyridinyl)methyl]imidazolidine-2,4-dione

3-[1-[(2,4-dimethylazet-3-yl)methyl]pyrazol-4-yl]-1-[(6-methoxy-2-pyridinyl)methyl]imidazolidine-2,4-dione (PubChem CID 118075056) has the molecular formula C19H20N6O3 and a molecular weight of 380.41 g/mol. Its IUPAC name is 3-[1-[(2,4-dimethylazet-3-yl)methyl]pyrazol-4-yl]-1-[(6-methoxy-2-pyridinyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-[(2,4-dimethylazet-3-yl)methyl]pyrazol-4-yl]-1-[(6-methoxy-2-pyridinyl)methyl]imidazolidine-2,4-dione
PubChem CID118075056
Molecular FormulaC19H20N6O3
Molecular Weight380.41 g/mol
Exact Mass380.16
IUPAC Name3-[1-[(2,4-dimethylazet-3-yl)methyl]pyrazol-4-yl]-1-[(6-methoxy-2-pyridinyl)methyl]imidazolidine-2,4-dione
SMILESCOc1cccc(CN2CC(=O)N(c3cnn(CC4=C(C)N=C4C)c3)C2=O)n1
InChIInChI=1S/C19H20N6O3/c1-12-16(13(2)21-12)10-24-9-15(7-20-24)25-18(26)11-23(19(25)27)8-14-5-4-6-17(22-14)28-3/h4-7,9H,8,10-11H2,1-3H3
InChIKeyVQEWABJLPJWIOY-UHFFFAOYSA-N
XLogP2.00
TPSA92.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2,4-dimethylazet-3-yl)methyl]pyrazol-4-yl]-1-[(6-methoxy-2-pyridinyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[1-[(2,4-dimethylazet-3-yl)methyl]pyrazol-4-yl]-1-[(6-methoxy-2-pyridinyl)methyl]imidazolidine-2,4-dione (CID 118075056) is 3-[1-[(2,4-dimethylazet-3-yl)methyl]pyrazol-4-yl]-1-[(6-methoxy-2-pyridinyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[1-[(2,4-dimethylazet-3-yl)methyl]pyrazol-4-yl]-1-[(6-methoxy-2-pyridinyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[1-[(2,4-dimethylazet-3-yl)methyl]pyrazol-4-yl]-1-[(6-methoxy-2-pyridinyl)methyl]imidazolidine-2,4-dione is COc1cccc(CN2CC(=O)N(c3cnn(CC4=C(C)N=C4C)c3)C2=O)n1.
What is the InChIKey of 3-[1-[(2,4-dimethylazet-3-yl)methyl]pyrazol-4-yl]-1-[(6-methoxy-2-pyridinyl)methyl]imidazolidine-2,4-dione?
The InChIKey is VQEWABJLPJWIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O3/c1-12-16(13(2)21-12)10-24-9-15(7-20-24)25-18(26)11-23(19(25)27)8-14-5-4-6-17(22-14)28-3/h4-7,9H,8,10-11H2,1-3H3.
What are the key properties of 3-[1-[(2,4-dimethylazet-3-yl)methyl]pyrazol-4-yl]-1-[(6-methoxy-2-pyridinyl)methyl]imidazolidine-2,4-dione?
3-[1-[(2,4-dimethylazet-3-yl)methyl]pyrazol-4-yl]-1-[(6-methoxy-2-pyridinyl)methyl]imidazolidine-2,4-dione has a molecular weight of 380.41 g/mol, XLogP of 2.00, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2,4-dimethylazet-3-yl)methyl]pyrazol-4-yl]-1-[(6-methoxy-2-pyridinyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 118075056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).