3-[1-(2-fluorophenyl)indazol-4-yl]-1-(pyridin-2-ylmethyl)imidazolidine-2,4-dione

C22H16FN5O2 — CID 138961758

IUPAC3-[1-(2-fluorophenyl)indazol-4-yl]-1-(pyridin-2-ylmethyl)imidazolidine-2,4-dione
SMILESO=C1CN(Cc2ccccn2)C(=O)N1c1cccc2c1cnn2-c1ccccc1F
InChIInChI=1S/C22H16FN5O2/c23-17-7-1-2-8-20(17)28-19-10-5-9-18(16(19)12-25-28)27-21(29)14-26(22(27)30)13-15-6-3-4-11-24-15/h1-12H,13-14H2
InChIKeyXBVVGHPEJYVOSP-UHFFFAOYSA-N
MW401.40 g/mol
LogP3.53
Rot. Bonds4

About 3-[1-(2-fluorophenyl)indazol-4-yl]-1-(pyridin-2-ylmethyl)imidazolidine-2,4-dione

3-[1-(2-fluorophenyl)indazol-4-yl]-1-(pyridin-2-ylmethyl)imidazolidine-2,4-dione (PubChem CID 138961758) has the molecular formula C22H16FN5O2 and a molecular weight of 401.40 g/mol. Its IUPAC name is 3-[1-(2-fluorophenyl)indazol-4-yl]-1-(pyridin-2-ylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-(2-fluorophenyl)indazol-4-yl]-1-(pyridin-2-ylmethyl)imidazolidine-2,4-dione
PubChem CID138961758
Molecular FormulaC22H16FN5O2
Molecular Weight401.40 g/mol
Exact Mass401.13
IUPAC Name3-[1-(2-fluorophenyl)indazol-4-yl]-1-(pyridin-2-ylmethyl)imidazolidine-2,4-dione
SMILESO=C1CN(Cc2ccccn2)C(=O)N1c1cccc2c1cnn2-c1ccccc1F
InChIInChI=1S/C22H16FN5O2/c23-17-7-1-2-8-20(17)28-19-10-5-9-18(16(19)12-25-28)27-21(29)14-26(22(27)30)13-15-6-3-4-11-24-15/h1-12H,13-14H2
InChIKeyXBVVGHPEJYVOSP-UHFFFAOYSA-N
XLogP3.53
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.40
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-fluorophenyl)indazol-4-yl]-1-(pyridin-2-ylmethyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[1-(2-fluorophenyl)indazol-4-yl]-1-(pyridin-2-ylmethyl)imidazolidine-2,4-dione (CID 138961758) is 3-[1-(2-fluorophenyl)indazol-4-yl]-1-(pyridin-2-ylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[1-(2-fluorophenyl)indazol-4-yl]-1-(pyridin-2-ylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[1-(2-fluorophenyl)indazol-4-yl]-1-(pyridin-2-ylmethyl)imidazolidine-2,4-dione is O=C1CN(Cc2ccccn2)C(=O)N1c1cccc2c1cnn2-c1ccccc1F.
What is the InChIKey of 3-[1-(2-fluorophenyl)indazol-4-yl]-1-(pyridin-2-ylmethyl)imidazolidine-2,4-dione?
The InChIKey is XBVVGHPEJYVOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN5O2/c23-17-7-1-2-8-20(17)28-19-10-5-9-18(16(19)12-25-28)27-21(29)14-26(22(27)30)13-15-6-3-4-11-24-15/h1-12H,13-14H2.
What are the key properties of 3-[1-(2-fluorophenyl)indazol-4-yl]-1-(pyridin-2-ylmethyl)imidazolidine-2,4-dione?
3-[1-(2-fluorophenyl)indazol-4-yl]-1-(pyridin-2-ylmethyl)imidazolidine-2,4-dione has a molecular weight of 401.40 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-fluorophenyl)indazol-4-yl]-1-(pyridin-2-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 138961758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).