3-[3-(fluoromethyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione

C24H16F4N4O3 — CID 165167141

IUPAC3-[3-(fluoromethyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
SMILESO=C1CN(c2cccc(C(F)(F)F)c2)C(=O)N1c1ccc(Oc2ccnc3[nH]ccc23)c(CF)c1
InChIInChI=1S/C24H16F4N4O3/c25-12-14-10-17(4-5-19(14)35-20-7-9-30-22-18(20)6-8-29-22)32-21(33)13-31(23(32)34)16-3-1-2-15(11-16)24(26,27)28/h1-11H,12-13H2,(H,29,30)
InChIKeyMZHLQVHZYABZAB-UHFFFAOYSA-N
MW484.41 g/mol
LogP5.82
Rot. Bonds5

About 3-[3-(fluoromethyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione

3-[3-(fluoromethyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione (PubChem CID 165167141) has the molecular formula C24H16F4N4O3 and a molecular weight of 484.41 g/mol. Its IUPAC name is 3-[3-(fluoromethyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-(fluoromethyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
PubChem CID165167141
Molecular FormulaC24H16F4N4O3
Molecular Weight484.41 g/mol
Exact Mass484.12
IUPAC Name3-[3-(fluoromethyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
SMILESO=C1CN(c2cccc(C(F)(F)F)c2)C(=O)N1c1ccc(Oc2ccnc3[nH]ccc23)c(CF)c1
InChIInChI=1S/C24H16F4N4O3/c25-12-14-10-17(4-5-19(14)35-20-7-9-30-22-18(20)6-8-29-22)32-21(33)13-31(23(32)34)16-3-1-2-15(11-16)24(26,27)28/h1-11H,12-13H2,(H,29,30)
InChIKeyMZHLQVHZYABZAB-UHFFFAOYSA-N
XLogP5.82
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.41
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[3-(fluoromethyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[3-(fluoromethyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione (CID 165167141) is 3-[3-(fluoromethyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[3-(fluoromethyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[3-(fluoromethyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione is O=C1CN(c2cccc(C(F)(F)F)c2)C(=O)N1c1ccc(Oc2ccnc3[nH]ccc23)c(CF)c1.
What is the InChIKey of 3-[3-(fluoromethyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The InChIKey is MZHLQVHZYABZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F4N4O3/c25-12-14-10-17(4-5-19(14)35-20-7-9-30-22-18(20)6-8-29-22)32-21(33)13-31(23(32)34)16-3-1-2-15(11-16)24(26,27)28/h1-11H,12-13H2,(H,29,30).
What are the key properties of 3-[3-(fluoromethyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
3-[3-(fluoromethyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione has a molecular weight of 484.41 g/mol, XLogP of 5.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(fluoromethyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 165167141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).