4-fluoro-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-7-pyrimidin-5-yl-3H-isoindol-1-one

C21H16FN5O — CID 71149571

IUPAC4-fluoro-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-7-pyrimidin-5-yl-3H-isoindol-1-one
SMILESO=C1c2c(-c3cncnc3)ccc(F)c2CN1CCc1cn2ccccc2n1
InChIInChI=1S/C21H16FN5O/c22-18-5-4-16(14-9-23-13-24-10-14)20-17(18)12-27(21(20)28)8-6-15-11-26-7-2-1-3-19(26)25-15/h1-5,7,9-11,13H,6,8,12H2
InChIKeyYGZNUJAPDXVUJK-UHFFFAOYSA-N
MW373.39 g/mol
LogP3.13
Rot. Bonds4

About 4-fluoro-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-7-pyrimidin-5-yl-3H-isoindol-1-one

4-fluoro-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-7-pyrimidin-5-yl-3H-isoindol-1-one (PubChem CID 71149571) has the molecular formula C21H16FN5O and a molecular weight of 373.39 g/mol. Its IUPAC name is 4-fluoro-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-7-pyrimidin-5-yl-3H-isoindol-1-one.

Molecular Properties

Compound Name4-fluoro-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-7-pyrimidin-5-yl-3H-isoindol-1-one
PubChem CID71149571
Molecular FormulaC21H16FN5O
Molecular Weight373.39 g/mol
Exact Mass373.13
IUPAC Name4-fluoro-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-7-pyrimidin-5-yl-3H-isoindol-1-one
SMILESO=C1c2c(-c3cncnc3)ccc(F)c2CN1CCc1cn2ccccc2n1
InChIInChI=1S/C21H16FN5O/c22-18-5-4-16(14-9-23-13-24-10-14)20-17(18)12-27(21(20)28)8-6-15-11-26-7-2-1-3-19(26)25-15/h1-5,7,9-11,13H,6,8,12H2
InChIKeyYGZNUJAPDXVUJK-UHFFFAOYSA-N
XLogP3.13
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-7-pyrimidin-5-yl-3H-isoindol-1-one with MolForge

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Related Compounds

2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-7-(2-oxo-1,3-dihydroindol-6-yl)-3H-isoindol-1-one
CID 71149417
2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-7-morpholin-4-yl-3H-isoindol-1-one
CID 71149247
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CID 105453813
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CID 71974623
2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
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imidazo[1,2-a]pyridin-2-ylmethylazanium
CID 7012186
1-(imidazo[1,2-a]pyridin-2-ylmethyl)-3,3-dimethylpiperazine-2,5-dione
CID 64879027
3-fluoro-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)aniline
CID 104831461
1-cyclopropyl-3-imidazo[1,2-a]pyridin-2-ylpropan-1-one
CID 79417170

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-7-pyrimidin-5-yl-3H-isoindol-1-one?
The IUPAC name of 4-fluoro-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-7-pyrimidin-5-yl-3H-isoindol-1-one (CID 71149571) is 4-fluoro-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-7-pyrimidin-5-yl-3H-isoindol-1-one.
What is the SMILES notation for 4-fluoro-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-7-pyrimidin-5-yl-3H-isoindol-1-one?
The canonical SMILES for 4-fluoro-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-7-pyrimidin-5-yl-3H-isoindol-1-one is O=C1c2c(-c3cncnc3)ccc(F)c2CN1CCc1cn2ccccc2n1.
What is the InChIKey of 4-fluoro-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-7-pyrimidin-5-yl-3H-isoindol-1-one?
The InChIKey is YGZNUJAPDXVUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5O/c22-18-5-4-16(14-9-23-13-24-10-14)20-17(18)12-27(21(20)28)8-6-15-11-26-7-2-1-3-19(26)25-15/h1-5,7,9-11,13H,6,8,12H2.
What are the key properties of 4-fluoro-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-7-pyrimidin-5-yl-3H-isoindol-1-one?
4-fluoro-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-7-pyrimidin-5-yl-3H-isoindol-1-one has a molecular weight of 373.39 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-7-pyrimidin-5-yl-3H-isoindol-1-one is sourced from PubChem (CID 71149571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).