1-[1-(2-fluorophenyl)indazol-4-yl]-3-(5-methylpyrimidin-2-yl)imidazolidin-2-one

C21H17FN6O — CID 118937630

IUPAC1-[1-(2-fluorophenyl)indazol-4-yl]-3-(5-methylpyrimidin-2-yl)imidazolidin-2-one
SMILESCc1cnc(N2CCN(c3cccc4c3cnn4-c3ccccc3F)C2=O)nc1
InChIInChI=1S/C21H17FN6O/c1-14-11-23-20(24-12-14)27-10-9-26(21(27)29)17-7-4-8-18-15(17)13-25-28(18)19-6-3-2-5-16(19)22/h2-8,11-13H,9-10H2,1H3
InChIKeyAKBATAGSYCFOHA-UHFFFAOYSA-N
MW388.41 g/mol
LogP3.71
Rot. Bonds3

About 1-[1-(2-fluorophenyl)indazol-4-yl]-3-(5-methylpyrimidin-2-yl)imidazolidin-2-one

1-[1-(2-fluorophenyl)indazol-4-yl]-3-(5-methylpyrimidin-2-yl)imidazolidin-2-one (PubChem CID 118937630) 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-(5-methylpyrimidin-2-yl)imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-(2-fluorophenyl)indazol-4-yl]-3-(5-methylpyrimidin-2-yl)imidazolidin-2-one
PubChem CID118937630
Molecular FormulaC21H17FN6O
Molecular Weight388.41 g/mol
Exact Mass388.14
IUPAC Name1-[1-(2-fluorophenyl)indazol-4-yl]-3-(5-methylpyrimidin-2-yl)imidazolidin-2-one
SMILESCc1cnc(N2CCN(c3cccc4c3cnn4-c3ccccc3F)C2=O)nc1
InChIInChI=1S/C21H17FN6O/c1-14-11-23-20(24-12-14)27-10-9-26(21(27)29)17-7-4-8-18-15(17)13-25-28(18)19-6-3-2-5-16(19)22/h2-8,11-13H,9-10H2,1H3
InChIKeyAKBATAGSYCFOHA-UHFFFAOYSA-N
XLogP3.71
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 53.71
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-(5-methylpyrimidin-2-yl)imidazolidin-2-one?
The IUPAC name of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-(5-methylpyrimidin-2-yl)imidazolidin-2-one (CID 118937630) is 1-[1-(2-fluorophenyl)indazol-4-yl]-3-(5-methylpyrimidin-2-yl)imidazolidin-2-one.
What is the SMILES notation for 1-[1-(2-fluorophenyl)indazol-4-yl]-3-(5-methylpyrimidin-2-yl)imidazolidin-2-one?
The canonical SMILES for 1-[1-(2-fluorophenyl)indazol-4-yl]-3-(5-methylpyrimidin-2-yl)imidazolidin-2-one is Cc1cnc(N2CCN(c3cccc4c3cnn4-c3ccccc3F)C2=O)nc1.
What is the InChIKey of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-(5-methylpyrimidin-2-yl)imidazolidin-2-one?
The InChIKey is AKBATAGSYCFOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN6O/c1-14-11-23-20(24-12-14)27-10-9-26(21(27)29)17-7-4-8-18-15(17)13-25-28(18)19-6-3-2-5-16(19)22/h2-8,11-13H,9-10H2,1H3.
What are the key properties of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-(5-methylpyrimidin-2-yl)imidazolidin-2-one?
1-[1-(2-fluorophenyl)indazol-4-yl]-3-(5-methylpyrimidin-2-yl)imidazolidin-2-one has a molecular weight of 388.41 g/mol, XLogP of 3.71, 3 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-(5-methylpyrimidin-2-yl)imidazolidin-2-one is sourced from PubChem (CID 118937630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).