1-[1-(2-fluorophenyl)indazol-4-yl]-3-(pyrazin-2-ylmethyl)imidazolidin-2-one

C21H17FN6O — CID 118937631

IUPAC1-[1-(2-fluorophenyl)indazol-4-yl]-3-(pyrazin-2-ylmethyl)imidazolidin-2-one
SMILESO=C1N(Cc2cnccn2)CCN1c1cccc2c1cnn2-c1ccccc1F
InChIInChI=1S/C21H17FN6O/c22-17-4-1-2-5-20(17)28-19-7-3-6-18(16(19)13-25-28)27-11-10-26(21(27)29)14-15-12-23-8-9-24-15/h1-9,12-13H,10-11,14H2
InChIKeyDDUZHYOOOIOFIW-UHFFFAOYSA-N
MW388.41 g/mol
LogP3.40
Rot. Bonds4

About 1-[1-(2-fluorophenyl)indazol-4-yl]-3-(pyrazin-2-ylmethyl)imidazolidin-2-one

1-[1-(2-fluorophenyl)indazol-4-yl]-3-(pyrazin-2-ylmethyl)imidazolidin-2-one (PubChem CID 118937631) has the molecular formula C21H17FN6O and a molecular weight of 388.41 g/mol. Its IUPAC name is 1-[1-(2-fluorophenyl)indazol-4-yl]-3-(pyrazin-2-ylmethyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-(2-fluorophenyl)indazol-4-yl]-3-(pyrazin-2-ylmethyl)imidazolidin-2-one
PubChem CID118937631
Molecular FormulaC21H17FN6O
Molecular Weight388.41 g/mol
Exact Mass388.14
IUPAC Name1-[1-(2-fluorophenyl)indazol-4-yl]-3-(pyrazin-2-ylmethyl)imidazolidin-2-one
SMILESO=C1N(Cc2cnccn2)CCN1c1cccc2c1cnn2-c1ccccc1F
InChIInChI=1S/C21H17FN6O/c22-17-4-1-2-5-20(17)28-19-7-3-6-18(16(19)13-25-28)27-11-10-26(21(27)29)14-15-12-23-8-9-24-15/h1-9,12-13H,10-11,14H2
InChIKeyDDUZHYOOOIOFIW-UHFFFAOYSA-N
XLogP3.40
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-(pyrazin-2-ylmethyl)imidazolidin-2-one?
The IUPAC name of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-(pyrazin-2-ylmethyl)imidazolidin-2-one (CID 118937631) is 1-[1-(2-fluorophenyl)indazol-4-yl]-3-(pyrazin-2-ylmethyl)imidazolidin-2-one.
What is the SMILES notation for 1-[1-(2-fluorophenyl)indazol-4-yl]-3-(pyrazin-2-ylmethyl)imidazolidin-2-one?
The canonical SMILES for 1-[1-(2-fluorophenyl)indazol-4-yl]-3-(pyrazin-2-ylmethyl)imidazolidin-2-one is O=C1N(Cc2cnccn2)CCN1c1cccc2c1cnn2-c1ccccc1F.
What is the InChIKey of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-(pyrazin-2-ylmethyl)imidazolidin-2-one?
The InChIKey is DDUZHYOOOIOFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN6O/c22-17-4-1-2-5-20(17)28-19-7-3-6-18(16(19)13-25-28)27-11-10-26(21(27)29)14-15-12-23-8-9-24-15/h1-9,12-13H,10-11,14H2.
What are the key properties of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-(pyrazin-2-ylmethyl)imidazolidin-2-one?
1-[1-(2-fluorophenyl)indazol-4-yl]-3-(pyrazin-2-ylmethyl)imidazolidin-2-one has a molecular weight of 388.41 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluorophenyl)indazol-4-yl]-3-(pyrazin-2-ylmethyl)imidazolidin-2-one is sourced from PubChem (CID 118937631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).