1-[3-[(4-fluorophenyl)methyl]-3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]pyrrolidin-1-yl]ethanone

C27H25F2N3O — CID 166917305

IUPAC1-[3-[(4-fluorophenyl)methyl]-3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Cc2ccc(F)cc2)(c2cc3cnn(-c4ccc(F)cc4)c3cc2C)C1
InChIInChI=1S/C27H25F2N3O/c1-18-13-26-21(16-30-32(26)24-9-7-23(29)8-10-24)14-25(18)27(11-12-31(17-27)19(2)33)15-20-3-5-22(28)6-4-20/h3-10,13-14,16H,11-12,15,17H2,1-2H3
InChIKeyGFBWNJZBIXFIHV-UHFFFAOYSA-N
MW445.51 g/mol
LogP5.34
Rot. Bonds4

About 1-[3-[(4-fluorophenyl)methyl]-3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]pyrrolidin-1-yl]ethanone

1-[3-[(4-fluorophenyl)methyl]-3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]pyrrolidin-1-yl]ethanone (PubChem CID 166917305) has the molecular formula C27H25F2N3O and a molecular weight of 445.51 g/mol. Its IUPAC name is 1-[3-[(4-fluorophenyl)methyl]-3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[(4-fluorophenyl)methyl]-3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]pyrrolidin-1-yl]ethanone
PubChem CID166917305
Molecular FormulaC27H25F2N3O
Molecular Weight445.51 g/mol
Exact Mass445.20
IUPAC Name1-[3-[(4-fluorophenyl)methyl]-3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Cc2ccc(F)cc2)(c2cc3cnn(-c4ccc(F)cc4)c3cc2C)C1
InChIInChI=1S/C27H25F2N3O/c1-18-13-26-21(16-30-32(26)24-9-7-23(29)8-10-24)14-25(18)27(11-12-31(17-27)19(2)33)15-20-3-5-22(28)6-4-20/h3-10,13-14,16H,11-12,15,17H2,1-2H3
InChIKeyGFBWNJZBIXFIHV-UHFFFAOYSA-N
XLogP5.34
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.51
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[3-[(4-fluorophenyl)methyl]-3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]pyrrolidin-1-yl]ethanone with MolForge

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

Launch Full Analysis

Related Compounds

3,3,3-trifluoro-N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]propanamide
CID 59251119
1-{4-[1-(3-aminomethylphenyl)-7-fluoro-3-methyl-1H-indazol-6-yl]phenyl}pyrrolidin-2-one
CID 11509879
1-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-3-(2,2,2-trifluoroethyl)urea
CID 24936312
1-tert-butyl-3-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]urea
CID 24936313
2,2,2-trifluoro-N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]acetamide
CID 24936446
4-(4-fluorophenyl)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one
CID 25205150
1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)-4-para-tolylpyridin-2(1H)-one
CID 25205153
4-(naphthalen-2-yl)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one
CID 25205317
1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)-4-(4-(trifluoromethyl)phenyl)pyridin-2(1H)-one
CID 25205318
1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)-4-ortho-tolylpyridin-2(1H)-one
CID 25205493
4-(2-fluoro-4-(trifluoromethyl)phenyl)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one
CID 25206616
N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-2-phenylacetamide
CID 59251049

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-fluorophenyl)methyl]-3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[3-[(4-fluorophenyl)methyl]-3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]pyrrolidin-1-yl]ethanone (CID 166917305) is 1-[3-[(4-fluorophenyl)methyl]-3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[(4-fluorophenyl)methyl]-3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[(4-fluorophenyl)methyl]-3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCC(Cc2ccc(F)cc2)(c2cc3cnn(-c4ccc(F)cc4)c3cc2C)C1.
What is the InChIKey of 1-[3-[(4-fluorophenyl)methyl]-3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is GFBWNJZBIXFIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F2N3O/c1-18-13-26-21(16-30-32(26)24-9-7-23(29)8-10-24)14-25(18)27(11-12-31(17-27)19(2)33)15-20-3-5-22(28)6-4-20/h3-10,13-14,16H,11-12,15,17H2,1-2H3.
What are the key properties of 1-[3-[(4-fluorophenyl)methyl]-3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]pyrrolidin-1-yl]ethanone?
1-[3-[(4-fluorophenyl)methyl]-3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 445.51 g/mol, XLogP of 5.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-fluorophenyl)methyl]-3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 166917305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).