1-(2,3-dihydroindol-1-yl)-2-[5-[5-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]ethanone

C22H23F3N4O — CID 163346611

IUPAC1-(2,3-dihydroindol-1-yl)-2-[5-[5-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]ethanone
SMILESO=C(CN1CCC2CN(c3ccc(C(F)(F)F)cn3)CC21)N1CCc2ccccc21
InChIInChI=1S/C22H23F3N4O/c23-22(24,25)17-5-6-20(26-11-17)28-12-16-7-9-27(19(16)13-28)14-21(30)29-10-8-15-3-1-2-4-18(15)29/h1-6,11,16,19H,7-10,12-14H2
InChIKeyWFBAJBBJCKHIQL-UHFFFAOYSA-N
MW416.45 g/mol
LogP3.20
Rot. Bonds3

About 1-(2,3-dihydroindol-1-yl)-2-[5-[5-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]ethanone

1-(2,3-dihydroindol-1-yl)-2-[5-[5-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]ethanone (PubChem CID 163346611) has the molecular formula C22H23F3N4O and a molecular weight of 416.45 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-[5-[5-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-[5-[5-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]ethanone
PubChem CID163346611
Molecular FormulaC22H23F3N4O
Molecular Weight416.45 g/mol
Exact Mass416.18
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-[5-[5-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]ethanone
SMILESO=C(CN1CCC2CN(c3ccc(C(F)(F)F)cn3)CC21)N1CCc2ccccc21
InChIInChI=1S/C22H23F3N4O/c23-22(24,25)17-5-6-20(26-11-17)28-12-16-7-9-27(19(16)13-28)14-21(30)29-10-8-15-3-1-2-4-18(15)29/h1-6,11,16,19H,7-10,12-14H2
InChIKeyWFBAJBBJCKHIQL-UHFFFAOYSA-N
XLogP3.20
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2,3-dihydroindol-1-yl)-2-[5-[5-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]ethanone with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[5-[5-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[5-[5-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]ethanone (CID 163346611) is 1-(2,3-dihydroindol-1-yl)-2-[5-[5-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-[5-[5-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-[5-[5-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]ethanone is O=C(CN1CCC2CN(c3ccc(C(F)(F)F)cn3)CC21)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-[5-[5-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]ethanone?
The InChIKey is WFBAJBBJCKHIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O/c23-22(24,25)17-5-6-20(26-11-17)28-12-16-7-9-27(19(16)13-28)14-21(30)29-10-8-15-3-1-2-4-18(15)29/h1-6,11,16,19H,7-10,12-14H2.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-[5-[5-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]ethanone?
1-(2,3-dihydroindol-1-yl)-2-[5-[5-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]ethanone has a molecular weight of 416.45 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-[5-[5-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]ethanone is sourced from PubChem (CID 163346611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).