1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one

C24H26FN5O3 — CID 118937676

IUPAC1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one
SMILESCOC[C@H]1CCCN1C(=O)CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O
InChIInChI=1S/C24H26FN5O3/c1-33-16-17-6-5-11-28(17)23(31)15-27-12-13-29(24(27)32)20-9-4-10-21-18(20)14-26-30(21)22-8-3-2-7-19(22)25/h2-4,7-10,14,17H,5-6,11-13,15-16H2,1H3/t17-/m1/s1
InChIKeyJPFXENKNWLULEO-QGZVFWFLSA-N
MW451.50 g/mol
LogP3.04
Rot. Bonds6

About 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one

1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one (PubChem CID 118937676) has the molecular formula C24H26FN5O3 and a molecular weight of 451.50 g/mol. Its IUPAC name is 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one
PubChem CID118937676
Molecular FormulaC24H26FN5O3
Molecular Weight451.50 g/mol
Exact Mass451.20
IUPAC Name1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one
SMILESCOC[C@H]1CCCN1C(=O)CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O
InChIInChI=1S/C24H26FN5O3/c1-33-16-17-6-5-11-28(17)23(31)15-27-12-13-29(24(27)32)20-9-4-10-21-18(20)14-26-30(21)22-8-3-2-7-19(22)25/h2-4,7-10,14,17H,5-6,11-13,15-16H2,1H3/t17-/m1/s1
InChIKeyJPFXENKNWLULEO-QGZVFWFLSA-N
XLogP3.04
TPSA70.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.50
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one?
The IUPAC name of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one (CID 118937676) is 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one?
The canonical SMILES for 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one is COC[C@H]1CCCN1C(=O)CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O.
What is the InChIKey of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one?
The InChIKey is JPFXENKNWLULEO-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H26FN5O3/c1-33-16-17-6-5-11-28(17)23(31)15-27-12-13-29(24(27)32)20-9-4-10-21-18(20)14-26-30(21)22-8-3-2-7-19(22)25/h2-4,7-10,14,17H,5-6,11-13,15-16H2,1H3/t17-/m1/s1.
What are the key properties of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one?
1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one has a molecular weight of 451.50 g/mol, XLogP of 3.04, 6 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-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one is sourced from PubChem (CID 118937676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).