2-[[2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]isoindole-1,3-dione

C19H11F3N4O2 — CID 118008005

IUPAC2-[[2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1ccnc(-c2cnc(C(F)(F)F)nc2)c1
InChIInChI=1S/C19H11F3N4O2/c20-19(21,22)18-24-8-12(9-25-18)15-7-11(5-6-23-15)10-26-16(27)13-3-1-2-4-14(13)17(26)28/h1-9H,10H2
InChIKeyDKBVDNNXJIAOIL-UHFFFAOYSA-N
MW384.32 g/mol
LogP3.35
Rot. Bonds3

About 2-[[2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]isoindole-1,3-dione

2-[[2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]isoindole-1,3-dione (PubChem CID 118008005) has the molecular formula C19H11F3N4O2 and a molecular weight of 384.32 g/mol. Its IUPAC name is 2-[[2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]isoindole-1,3-dione
PubChem CID118008005
Molecular FormulaC19H11F3N4O2
Molecular Weight384.32 g/mol
Exact Mass384.08
IUPAC Name2-[[2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1ccnc(-c2cnc(C(F)(F)F)nc2)c1
InChIInChI=1S/C19H11F3N4O2/c20-19(21,22)18-24-8-12(9-25-18)15-7-11(5-6-23-15)10-26-16(27)13-3-1-2-4-14(13)17(26)28/h1-9H,10H2
InChIKeyDKBVDNNXJIAOIL-UHFFFAOYSA-N
XLogP3.35
TPSA76.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.32
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]isoindole-1,3-dione (CID 118008005) is 2-[[2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1Cc1ccnc(-c2cnc(C(F)(F)F)nc2)c1.
What is the InChIKey of 2-[[2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]isoindole-1,3-dione?
The InChIKey is DKBVDNNXJIAOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F3N4O2/c20-19(21,22)18-24-8-12(9-25-18)15-7-11(5-6-23-15)10-26-16(27)13-3-1-2-4-14(13)17(26)28/h1-9H,10H2.
What are the key properties of 2-[[2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]isoindole-1,3-dione?
2-[[2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]isoindole-1,3-dione has a molecular weight of 384.32 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 118008005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).