2-(4-fluorophenyl)-3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)spiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,1'-cyclopentane]

C22H20FN5 — CID 137351567

IUPAC2-(4-fluorophenyl)-3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)spiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,1'-cyclopentane]
SMILESFc1ccc(-c2nc3n(c2-c2ccc4ncnn4c2)CC2(CCCC2)C3)cc1
InChIInChI=1S/C22H20FN5/c23-17-6-3-15(4-7-17)20-21(16-5-8-18-24-14-25-28(18)12-16)27-13-22(9-1-2-10-22)11-19(27)26-20/h3-8,12,14H,1-2,9-11,13H2
InChIKeyQGJFFTNRIZVJTG-UHFFFAOYSA-N
MW373.44 g/mol
LogP4.52
Rot. Bonds2

About 2-(4-fluorophenyl)-3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)spiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,1'-cyclopentane]

2-(4-fluorophenyl)-3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)spiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,1'-cyclopentane] (PubChem CID 137351567) has the molecular formula C22H20FN5 and a molecular weight of 373.44 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)spiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,1'-cyclopentane].

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)spiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,1'-cyclopentane]
PubChem CID137351567
Molecular FormulaC22H20FN5
Molecular Weight373.44 g/mol
Exact Mass373.17
IUPAC Name2-(4-fluorophenyl)-3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)spiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,1'-cyclopentane]
SMILESFc1ccc(-c2nc3n(c2-c2ccc4ncnn4c2)CC2(CCCC2)C3)cc1
InChIInChI=1S/C22H20FN5/c23-17-6-3-15(4-7-17)20-21(16-5-8-18-24-14-25-28(18)12-16)27-13-22(9-1-2-10-22)11-19(27)26-20/h3-8,12,14H,1-2,9-11,13H2
InChIKeyQGJFFTNRIZVJTG-UHFFFAOYSA-N
XLogP4.52
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-fluorophenyl)-3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)spiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,1'-cyclopentane] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)spiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,1'-cyclopentane]?
The IUPAC name of 2-(4-fluorophenyl)-3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)spiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,1'-cyclopentane] (CID 137351567) is 2-(4-fluorophenyl)-3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)spiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,1'-cyclopentane].
What is the SMILES notation for 2-(4-fluorophenyl)-3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)spiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,1'-cyclopentane]?
The canonical SMILES for 2-(4-fluorophenyl)-3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)spiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,1'-cyclopentane] is Fc1ccc(-c2nc3n(c2-c2ccc4ncnn4c2)CC2(CCCC2)C3)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)spiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,1'-cyclopentane]?
The InChIKey is QGJFFTNRIZVJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5/c23-17-6-3-15(4-7-17)20-21(16-5-8-18-24-14-25-28(18)12-16)27-13-22(9-1-2-10-22)11-19(27)26-20/h3-8,12,14H,1-2,9-11,13H2.
What are the key properties of 2-(4-fluorophenyl)-3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)spiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,1'-cyclopentane]?
2-(4-fluorophenyl)-3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)spiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,1'-cyclopentane] has a molecular weight of 373.44 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)spiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,1'-cyclopentane] is sourced from PubChem (CID 137351567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).