1-[7-fluoro-3-(1H-indol-2-yl)-2,3-dihydro-1H-inden-5-yl]-3-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]pyrrolidin-2-one

C28H23F4N3O3 — CID 150411717

IUPAC1-[7-fluoro-3-(1H-indol-2-yl)-2,3-dihydro-1H-inden-5-yl]-3-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]pyrrolidin-2-one
SMILESO=C1C(Oc2ccc(OCC(F)(F)F)nc2)CCN1c1cc(F)c2c(c1)C(c1cc3ccccc3[nH]1)CC2
InChIInChI=1S/C28H23F4N3O3/c29-22-13-17(12-21-19(22)6-7-20(21)24-11-16-3-1-2-4-23(16)34-24)35-10-9-25(27(35)36)38-18-5-8-26(33-14-18)37-15-28(30,31)32/h1-5,8,11-14,20,25,34H,6-7,9-10,15H2
InChIKeyHFXNNDQSUYYFMS-UHFFFAOYSA-N
MW525.50 g/mol
LogP5.91
Rot. Bonds6

About 1-[7-fluoro-3-(1H-indol-2-yl)-2,3-dihydro-1H-inden-5-yl]-3-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]pyrrolidin-2-one

1-[7-fluoro-3-(1H-indol-2-yl)-2,3-dihydro-1H-inden-5-yl]-3-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]pyrrolidin-2-one (PubChem CID 150411717) has the molecular formula C28H23F4N3O3 and a molecular weight of 525.50 g/mol. Its IUPAC name is 1-[7-fluoro-3-(1H-indol-2-yl)-2,3-dihydro-1H-inden-5-yl]-3-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[7-fluoro-3-(1H-indol-2-yl)-2,3-dihydro-1H-inden-5-yl]-3-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]pyrrolidin-2-one
PubChem CID150411717
Molecular FormulaC28H23F4N3O3
Molecular Weight525.50 g/mol
Exact Mass525.17
IUPAC Name1-[7-fluoro-3-(1H-indol-2-yl)-2,3-dihydro-1H-inden-5-yl]-3-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]pyrrolidin-2-one
SMILESO=C1C(Oc2ccc(OCC(F)(F)F)nc2)CCN1c1cc(F)c2c(c1)C(c1cc3ccccc3[nH]1)CC2
InChIInChI=1S/C28H23F4N3O3/c29-22-13-17(12-21-19(22)6-7-20(21)24-11-16-3-1-2-4-23(16)34-24)35-10-9-25(27(35)36)38-18-5-8-26(33-14-18)37-15-28(30,31)32/h1-5,8,11-14,20,25,34H,6-7,9-10,15H2
InChIKeyHFXNNDQSUYYFMS-UHFFFAOYSA-N
XLogP5.91
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.50
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[7-fluoro-3-(1H-indol-2-yl)-2,3-dihydro-1H-inden-5-yl]-3-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]pyrrolidin-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

Related Compounds

1-[5-[(3R)-2-oxo-3-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-pyridinyl]azetidine-3-carboxylic acid
CID 135306694
1-[5-[(3R)-2-oxo-3-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-pyridinyl]azetidine-3-carboxamide
CID 135306629
(3R)-3-[[6-(3-ethoxypropoxy)-3-pyridinyl]oxy]-1-(7-fluoro-3-oxo-1,2-dihydroinden-5-yl)pyrrolidin-2-one
CID 90091864
N,N-dimethyl-2-[3-oxo-5-[2-oxo-3-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]pyrrolidin-1-yl]-1H-isoindol-2-yl]acetamide
CID 123393220
6-[(3R)-3-[[6-(2-cyclopropylethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-4-fluoro-2-(2-oxobutyl)-3H-isoindol-1-one
CID 135190929
ethyl 2-[3-oxo-5-[(3R)-2-oxo-3-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]pyrrolidin-1-yl]-1H-isoindol-2-yl]acetate
CID 126483218
N,N-dimethyl-2-[3-[5-[(3R)-2-oxo-3-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidin-2-yl]cyclobutyl]acetamide
CID 167004104
6-[(3R)-3-[(6-ethoxy-3-pyridinyl)oxy]-2-oxopyrrolidin-1-yl]-4-fluoro-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-isoindol-1-one
CID 118418279
(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-1-[7-fluoro-3-oxo-2-(2-oxopropyl)-1,2-dihydroinden-5-yl]pyrrolidin-2-one
CID 118427334
(3R)-3-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]pyrrolidin-2-one
CID 118417694
N,N-diethyl-2-[7-fluoro-3-oxo-5-[(3R)-2-oxo-3-[(6-propoxy-3-pyridinyl)oxy]pyrrolidin-1-yl]-1H-isoindol-2-yl]acetamide
CID 135191088
8-fluoro-6-[(3R)-3-[[6-(4-fluorophenoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 118417796

Frequently Asked Questions

What is the IUPAC name of 1-[7-fluoro-3-(1H-indol-2-yl)-2,3-dihydro-1H-inden-5-yl]-3-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]pyrrolidin-2-one?
The IUPAC name of 1-[7-fluoro-3-(1H-indol-2-yl)-2,3-dihydro-1H-inden-5-yl]-3-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]pyrrolidin-2-one (CID 150411717) is 1-[7-fluoro-3-(1H-indol-2-yl)-2,3-dihydro-1H-inden-5-yl]-3-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]pyrrolidin-2-one.
What is the SMILES notation for 1-[7-fluoro-3-(1H-indol-2-yl)-2,3-dihydro-1H-inden-5-yl]-3-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]pyrrolidin-2-one?
The canonical SMILES for 1-[7-fluoro-3-(1H-indol-2-yl)-2,3-dihydro-1H-inden-5-yl]-3-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]pyrrolidin-2-one is O=C1C(Oc2ccc(OCC(F)(F)F)nc2)CCN1c1cc(F)c2c(c1)C(c1cc3ccccc3[nH]1)CC2.
What is the InChIKey of 1-[7-fluoro-3-(1H-indol-2-yl)-2,3-dihydro-1H-inden-5-yl]-3-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]pyrrolidin-2-one?
The InChIKey is HFXNNDQSUYYFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23F4N3O3/c29-22-13-17(12-21-19(22)6-7-20(21)24-11-16-3-1-2-4-23(16)34-24)35-10-9-25(27(35)36)38-18-5-8-26(33-14-18)37-15-28(30,31)32/h1-5,8,11-14,20,25,34H,6-7,9-10,15H2.
What are the key properties of 1-[7-fluoro-3-(1H-indol-2-yl)-2,3-dihydro-1H-inden-5-yl]-3-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]pyrrolidin-2-one?
1-[7-fluoro-3-(1H-indol-2-yl)-2,3-dihydro-1H-inden-5-yl]-3-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]pyrrolidin-2-one has a molecular weight of 525.50 g/mol, XLogP of 5.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-fluoro-3-(1H-indol-2-yl)-2,3-dihydro-1H-inden-5-yl]-3-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]pyrrolidin-2-one is sourced from PubChem (CID 150411717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).