1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(3S)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one

C22H21F2N5O2 — CID 118937760

IUPAC1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(3S)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one
SMILESO=C(CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O)N1CC[C@H](F)C1
InChIInChI=1S/C22H21F2N5O2/c23-15-8-9-26(13-15)21(30)14-27-10-11-28(22(27)31)18-6-3-7-19-16(18)12-25-29(19)20-5-2-1-4-17(20)24/h1-7,12,15H,8-11,13-14H2/t15-/m0/s1
InChIKeyVVMSTQZOIKYVBV-HNNXBMFYSA-N
MW425.44 g/mol
LogP2.98
Rot. Bonds4

About 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(3S)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one

1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(3S)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one (PubChem CID 118937760) has the molecular formula C22H21F2N5O2 and a molecular weight of 425.44 g/mol. Its IUPAC name is 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(3S)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(3S)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one
PubChem CID118937760
Molecular FormulaC22H21F2N5O2
Molecular Weight425.44 g/mol
Exact Mass425.17
IUPAC Name1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(3S)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one
SMILESO=C(CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O)N1CC[C@H](F)C1
InChIInChI=1S/C22H21F2N5O2/c23-15-8-9-26(13-15)21(30)14-27-10-11-28(22(27)31)18-6-3-7-19-16(18)12-25-29(19)20-5-2-1-4-17(20)24/h1-7,12,15H,8-11,13-14H2/t15-/m0/s1
InChIKeyVVMSTQZOIKYVBV-HNNXBMFYSA-N
XLogP2.98
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]imidazolidin-2-one
CID 118937558
1-[2-[(4aS)-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidin-2-yl]-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one
CID 118937836
1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-oxoethyl]imidazolidin-2-one
CID 118937637
1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one
CID 118937893
1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one
CID 118937896
N-cyclopentyl-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide
CID 118937554
1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one
CID 118937676
N-tert-butyl-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide
CID 118937690
1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(2S)-2-hydroxybutyl]imidazolidin-2-one
CID 118937567
2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]-N-[(1R,2S)-2-(2-methylpropoxy)cyclopentyl]acetamide
CID 118937714
1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(5-methyl-1,3-oxazol-2-yl)methyl]imidazolidin-2-one
CID 118937859
1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(5-methylpyrazin-2-yl)methyl]imidazolidin-2-one
CID 118937766

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(3S)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one?
The IUPAC name of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(3S)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one (CID 118937760) is 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(3S)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(3S)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one?
The canonical SMILES for 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(3S)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one is O=C(CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O)N1CC[C@H](F)C1.
What is the InChIKey of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(3S)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one?
The InChIKey is VVMSTQZOIKYVBV-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H21F2N5O2/c23-15-8-9-26(13-15)21(30)14-27-10-11-28(22(27)31)18-6-3-7-19-16(18)12-25-29(19)20-5-2-1-4-17(20)24/h1-7,12,15H,8-11,13-14H2/t15-/m0/s1.
What are the key properties of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(3S)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one?
1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(3S)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one has a molecular weight of 425.44 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(3S)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one is sourced from PubChem (CID 118937760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).