1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one

C25H26FN5O2 — CID 118937600

IUPAC1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one
SMILESO=C(CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O)N1CC2CCCC2C1
InChIInChI=1S/C25H26FN5O2/c26-20-7-1-2-8-23(20)31-22-10-4-9-21(19(22)13-27-31)30-12-11-28(25(30)33)16-24(32)29-14-17-5-3-6-18(17)15-29/h1-2,4,7-10,13,17-18H,3,5-6,11-12,14-16H2
InChIKeyGLFIJNDOAVOTQN-UHFFFAOYSA-N
MW447.51 g/mol
LogP3.67
Rot. Bonds4

About 1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one

1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one (PubChem CID 118937600) has the molecular formula C25H26FN5O2 and a molecular weight of 447.51 g/mol. Its IUPAC name is 1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one
PubChem CID118937600
Molecular FormulaC25H26FN5O2
Molecular Weight447.51 g/mol
Exact Mass447.21
IUPAC Name1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one
SMILESO=C(CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O)N1CC2CCCC2C1
InChIInChI=1S/C25H26FN5O2/c26-20-7-1-2-8-23(20)31-22-10-4-9-21(19(22)13-27-31)30-12-11-28(25(30)33)16-24(32)29-14-17-5-3-6-18(17)15-29/h1-2,4,7-10,13,17-18H,3,5-6,11-12,14-16H2
InChIKeyGLFIJNDOAVOTQN-UHFFFAOYSA-N
XLogP3.67
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one with MolForge

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Related Compounds

2-{3-[1-(2-fluorophenyl)-1H-indazol-4-yl]-2-oxoimidazolidin-1-yl}acetamide
CID 118937664
1-[1-(2-fluorophenyl)-1H-indazol-4-yl]-3-(pyridin-4-yl)imidazolidin-2-one
CID 118937702
1-[1-(2-fluorophenyl)-1H-indazol-4-yl]-3-{2-[(3S)-3-fluoropyrrolidin-1-yl]-2-oxoethyl}imidazolidin-2-one
CID 118937760
N-cyclopropyl-2-{3-[1-(2-fluorophenyl)-1H-indazol-4-yl]-2-oxoimidazolidin-1-yl}acetamide
CID 118937849
1-[1-(2-fluorophenyl)-1H-indazol-4-yl]-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]imidazolidin-2-one
CID 118937903
tert-butyl 3-[1-(2-fluorophenyl)-1H-indazol-4-yl]-2-oxoimidazolidine-1-carboxylate
CID 118937913
1-[1-(2-fluorophenyl)-1H-indazol-4-yl]-3-(4-methyl-2-oxopentyl)imidazolidin-2-one
CID 118937925
1-[1-(2-fluorophenyl)-1H-indazol-4-yl]-3-{2-[(3R)-3-fluoropyrrolidin-1-yl]-2-oxoethyl}imidazolidin-2-one
CID 118937930
(3aS,6aR)-2-[1-(2-fluorophenyl)-1H-indazol-4-yl]-5-(3-hydroxy-3-methylbutanoyl)hexahydropyrrolo[3,4-c]pyrrol-1(2H)-one
CID 122513516
4-[1-(2-fluorophenyl)indazol-4-yl]-1-[2-[(3S)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]piperazin-2-one
CID 127047251
2-benzyl-5-[1-(2-fluorophenyl)indazol-4-yl]-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 127047252
1-[1-(2-fluorophenyl)-1H-indazol-4-yl]-3-{2-[(3S)-3-fluoropiperidin-1-yl]-2-oxoethyl}imidazolidin-2-one
CID 118937716

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one?
The IUPAC name of 1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one (CID 118937600) is 1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one is O=C(CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O)N1CC2CCCC2C1.
What is the InChIKey of 1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one?
The InChIKey is GLFIJNDOAVOTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O2/c26-20-7-1-2-8-23(20)31-22-10-4-9-21(19(22)13-27-31)30-12-11-28(25(30)33)16-24(32)29-14-17-5-3-6-18(17)15-29/h1-2,4,7-10,13,17-18H,3,5-6,11-12,14-16H2.
What are the key properties of 1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one?
1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one has a molecular weight of 447.51 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one is sourced from PubChem (CID 118937600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).