4-(fluoromethoxy)-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-7-pyrimidin-5-ylisoindole-1,3-dione

C22H16FN5O3 — CID 71149647

IUPAC4-(fluoromethoxy)-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-7-pyrimidin-5-ylisoindole-1,3-dione
SMILESO=C1c2c(OCF)ccc(-c3cncnc3)c2C(=O)N1CCc1cn2ccccc2n1
InChIInChI=1S/C22H16FN5O3/c23-12-31-17-5-4-16(14-9-24-13-25-10-14)19-20(17)22(30)28(21(19)29)8-6-15-11-27-7-2-1-3-18(27)26-15/h1-5,7,9-11,13H,6,8,12H2
InChIKeyDRISOJANUIMGKA-UHFFFAOYSA-N
MW417.40 g/mol
LogP2.94
Rot. Bonds6

About 4-(fluoromethoxy)-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-7-pyrimidin-5-ylisoindole-1,3-dione

4-(fluoromethoxy)-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-7-pyrimidin-5-ylisoindole-1,3-dione (PubChem CID 71149647) has the molecular formula C22H16FN5O3 and a molecular weight of 417.40 g/mol. Its IUPAC name is 4-(fluoromethoxy)-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-7-pyrimidin-5-ylisoindole-1,3-dione.

Molecular Properties

Compound Name4-(fluoromethoxy)-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-7-pyrimidin-5-ylisoindole-1,3-dione
PubChem CID71149647
Molecular FormulaC22H16FN5O3
Molecular Weight417.40 g/mol
Exact Mass417.12
IUPAC Name4-(fluoromethoxy)-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-7-pyrimidin-5-ylisoindole-1,3-dione
SMILESO=C1c2c(OCF)ccc(-c3cncnc3)c2C(=O)N1CCc1cn2ccccc2n1
InChIInChI=1S/C22H16FN5O3/c23-12-31-17-5-4-16(14-9-24-13-25-10-14)19-20(17)22(30)28(21(19)29)8-6-15-11-27-7-2-1-3-18(27)26-15/h1-5,7,9-11,13H,6,8,12H2
InChIKeyDRISOJANUIMGKA-UHFFFAOYSA-N
XLogP2.94
TPSA89.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.40
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethoxy)-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-7-pyrimidin-5-ylisoindole-1,3-dione?
The IUPAC name of 4-(fluoromethoxy)-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-7-pyrimidin-5-ylisoindole-1,3-dione (CID 71149647) is 4-(fluoromethoxy)-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-7-pyrimidin-5-ylisoindole-1,3-dione.
What is the SMILES notation for 4-(fluoromethoxy)-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-7-pyrimidin-5-ylisoindole-1,3-dione?
The canonical SMILES for 4-(fluoromethoxy)-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-7-pyrimidin-5-ylisoindole-1,3-dione is O=C1c2c(OCF)ccc(-c3cncnc3)c2C(=O)N1CCc1cn2ccccc2n1.
What is the InChIKey of 4-(fluoromethoxy)-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-7-pyrimidin-5-ylisoindole-1,3-dione?
The InChIKey is DRISOJANUIMGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN5O3/c23-12-31-17-5-4-16(14-9-24-13-25-10-14)19-20(17)22(30)28(21(19)29)8-6-15-11-27-7-2-1-3-18(27)26-15/h1-5,7,9-11,13H,6,8,12H2.
What are the key properties of 4-(fluoromethoxy)-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-7-pyrimidin-5-ylisoindole-1,3-dione?
4-(fluoromethoxy)-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-7-pyrimidin-5-ylisoindole-1,3-dione has a molecular weight of 417.40 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethoxy)-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-7-pyrimidin-5-ylisoindole-1,3-dione is sourced from PubChem (CID 71149647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).