5-[4-[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione

C20H17N7O3 — CID 167840439

IUPAC5-[4-[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione
SMILESCc1cc(-c2nc(-c3ccc(C4(C)NC(=O)NC4=O)cc3)no2)c2cnn(C)c2n1
InChIInChI=1S/C20H17N7O3/c1-10-8-13(14-9-21-27(3)16(14)22-10)17-23-15(26-30-17)11-4-6-12(7-5-11)20(2)18(28)24-19(29)25-20/h4-9H,1-3H3,(H2,24,25,28,29)
InChIKeyRAWOQEMIHHAWRD-UHFFFAOYSA-N
MW403.40 g/mol
LogP2.05
Rot. Bonds3

About 5-[4-[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione

5-[4-[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione (PubChem CID 167840439) has the molecular formula C20H17N7O3 and a molecular weight of 403.40 g/mol. Its IUPAC name is 5-[4-[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[4-[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione
PubChem CID167840439
Molecular FormulaC20H17N7O3
Molecular Weight403.40 g/mol
Exact Mass403.14
IUPAC Name5-[4-[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione
SMILESCc1cc(-c2nc(-c3ccc(C4(C)NC(=O)NC4=O)cc3)no2)c2cnn(C)c2n1
InChIInChI=1S/C20H17N7O3/c1-10-8-13(14-9-21-27(3)16(14)22-10)17-23-15(26-30-17)11-4-6-12(7-5-11)20(2)18(28)24-19(29)25-20/h4-9H,1-3H3,(H2,24,25,28,29)
InChIKeyRAWOQEMIHHAWRD-UHFFFAOYSA-N
XLogP2.05
TPSA127.83 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.40
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[4-[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione (CID 167840439) is 5-[4-[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[4-[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[4-[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione is Cc1cc(-c2nc(-c3ccc(C4(C)NC(=O)NC4=O)cc3)no2)c2cnn(C)c2n1.
What is the InChIKey of 5-[4-[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is RAWOQEMIHHAWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7O3/c1-10-8-13(14-9-21-27(3)16(14)22-10)17-23-15(26-30-17)11-4-6-12(7-5-11)20(2)18(28)24-19(29)25-20/h4-9H,1-3H3,(H2,24,25,28,29).
What are the key properties of 5-[4-[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione?
5-[4-[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 403.40 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 167840439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).