2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)acetamide

C25H29FN6O3 — CID 118937568

IUPAC2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)acetamide
SMILESCN(CCN1CCOCC1)C(=O)CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O
InChIInChI=1S/C25H29FN6O3/c1-28(9-10-29-13-15-35-16-14-29)24(33)18-30-11-12-31(25(30)34)21-7-4-8-22-19(21)17-27-32(22)23-6-3-2-5-20(23)26/h2-8,17H,9-16,18H2,1H3
InChIKeySALIAUTYJWIXLZ-UHFFFAOYSA-N
MW480.54 g/mol
LogP2.20
Rot. Bonds7

About 2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)acetamide

2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 118937568) has the molecular formula C25H29FN6O3 and a molecular weight of 480.54 g/mol. Its IUPAC name is 2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID118937568
Molecular FormulaC25H29FN6O3
Molecular Weight480.54 g/mol
Exact Mass480.23
IUPAC Name2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)acetamide
SMILESCN(CCN1CCOCC1)C(=O)CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O
InChIInChI=1S/C25H29FN6O3/c1-28(9-10-29-13-15-35-16-14-29)24(33)18-30-11-12-31(25(30)34)21-7-4-8-22-19(21)17-27-32(22)23-6-3-2-5-20(23)26/h2-8,17H,9-16,18H2,1H3
InChIKeySALIAUTYJWIXLZ-UHFFFAOYSA-N
XLogP2.20
TPSA74.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.54
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)acetamide (CID 118937568) is 2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)acetamide is CN(CCN1CCOCC1)C(=O)CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O.
What is the InChIKey of 2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is SALIAUTYJWIXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN6O3/c1-28(9-10-29-13-15-35-16-14-29)24(33)18-30-11-12-31(25(30)34)21-7-4-8-22-19(21)17-27-32(22)23-6-3-2-5-20(23)26/h2-8,17H,9-16,18H2,1H3.
What are the key properties of 2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)acetamide?
2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 480.54 g/mol, XLogP of 2.20, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 118937568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).