(3-ethyl-2-pyridinyl)-[5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methanone

C22H23F3N2O — CID 123432752

IUPAC(3-ethyl-2-pyridinyl)-[5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methanone
SMILESCCc1cccnc1C(=O)N1CC2CC(c3ccccc3C(F)(F)F)CC2C1
InChIInChI=1S/C22H23F3N2O/c1-2-14-6-5-9-26-20(14)21(28)27-12-16-10-15(11-17(16)13-27)18-7-3-4-8-19(18)22(23,24)25/h3-9,15-17H,2,10-13H2,1H3
InChIKeyOXWQODMYIIKJIB-UHFFFAOYSA-N
MW388.43 g/mol
LogP4.93
Rot. Bonds3

About (3-ethyl-2-pyridinyl)-[5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methanone

(3-ethyl-2-pyridinyl)-[5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methanone (PubChem CID 123432752) has the molecular formula C22H23F3N2O and a molecular weight of 388.43 g/mol. Its IUPAC name is (3-ethyl-2-pyridinyl)-[5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methanone.

Molecular Properties

Compound Name(3-ethyl-2-pyridinyl)-[5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methanone
PubChem CID123432752
Molecular FormulaC22H23F3N2O
Molecular Weight388.43 g/mol
Exact Mass388.18
IUPAC Name(3-ethyl-2-pyridinyl)-[5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methanone
SMILESCCc1cccnc1C(=O)N1CC2CC(c3ccccc3C(F)(F)F)CC2C1
InChIInChI=1S/C22H23F3N2O/c1-2-14-6-5-9-26-20(14)21(28)27-12-16-10-15(11-17(16)13-27)18-7-3-4-8-19(18)22(23,24)25/h3-9,15-17H,2,10-13H2,1H3
InChIKeyOXWQODMYIIKJIB-UHFFFAOYSA-N
XLogP4.93
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3-ethyl-2-pyridinyl)-[5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

Tak-637
CID 9894349
7-(3,5-Bis-trifluoromethyl-benzyl)-5-P-tolyl-8,9,10,11-tetrahydro-7H-1,7,11A-triaza-cycloocta[B]naphthalene-6,12-dione (atropisomeric mix)
CID 9855000
5-(4-Fluoro-phenyl)-7-methyl-8-oxo-7,8-dihydro-[1,7]naphthyridine-6-carboxylic acid (3,5-bis-trifluoromethyl-benzyl)-methyl-amide
CID 9871891
7-Methyl-8-oxo-5-phenyl-7,8-dihydro-[1,7]naphthyridine-6-carboxylic acid (3,5-bis-trifluoromethyl-benzyl)-methyl-amide
CID 10369373
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CID 2604307
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CID 2988504
2-[2-(2-methylbenzoyl)-1H-pyrrol-1-yl]-1-piperidino-1-ethanone
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3,4-dihydro-1H-isoquinolin-2-yl-(1-methylpyrrol-2-yl)methanone
CID 24817907
7-(3,5-Bis-trifluoromethyl-benzyl)-9-methyl-5-P-tolyl-8,9,10,11-tetrahydro-7H-1,7,11A-triaza-cycloocta[B]naphthalene-6,12-dione (atropisomeric mix)
CID 44352062
[2-[[3,5-Bis(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-(1-methylpyrrol-2-yl)methanone
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[1-(2-azepan-1-yl-2-oxoethyl)-1H-pyrrol-2-yl](2-methylphenyl)methanone
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Frequently Asked Questions

What is the IUPAC name of (3-ethyl-2-pyridinyl)-[5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methanone?
The IUPAC name of (3-ethyl-2-pyridinyl)-[5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methanone (CID 123432752) is (3-ethyl-2-pyridinyl)-[5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methanone.
What is the SMILES notation for (3-ethyl-2-pyridinyl)-[5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methanone?
The canonical SMILES for (3-ethyl-2-pyridinyl)-[5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methanone is CCc1cccnc1C(=O)N1CC2CC(c3ccccc3C(F)(F)F)CC2C1.
What is the InChIKey of (3-ethyl-2-pyridinyl)-[5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methanone?
The InChIKey is OXWQODMYIIKJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N2O/c1-2-14-6-5-9-26-20(14)21(28)27-12-16-10-15(11-17(16)13-27)18-7-3-4-8-19(18)22(23,24)25/h3-9,15-17H,2,10-13H2,1H3.
What are the key properties of (3-ethyl-2-pyridinyl)-[5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methanone?
(3-ethyl-2-pyridinyl)-[5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methanone has a molecular weight of 388.43 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-2-pyridinyl)-[5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methanone is sourced from PubChem (CID 123432752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).