2-[2-amino-1-(3-fluorophenyl)ethyl]-5-(2-methylpyrazol-3-yl)-3H-isoindol-1-one

C20H19FN4O — CID 71555269

IUPAC2-[2-amino-1-(3-fluorophenyl)ethyl]-5-(2-methylpyrazol-3-yl)-3H-isoindol-1-one
SMILESCn1nccc1-c1ccc2c(c1)CN(C(CN)c1cccc(F)c1)C2=O
InChIInChI=1S/C20H19FN4O/c1-24-18(7-8-23-24)14-5-6-17-15(9-14)12-25(20(17)26)19(11-22)13-3-2-4-16(21)10-13/h2-10,19H,11-12,22H2,1H3
InChIKeyNAZOOGWMSSDUNK-UHFFFAOYSA-N
MW350.40 g/mol
LogP2.88
Rot. Bonds4

About 2-[2-amino-1-(3-fluorophenyl)ethyl]-5-(2-methylpyrazol-3-yl)-3H-isoindol-1-one

2-[2-amino-1-(3-fluorophenyl)ethyl]-5-(2-methylpyrazol-3-yl)-3H-isoindol-1-one (PubChem CID 71555269) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is 2-[2-amino-1-(3-fluorophenyl)ethyl]-5-(2-methylpyrazol-3-yl)-3H-isoindol-1-one.

Molecular Properties

Compound Name2-[2-amino-1-(3-fluorophenyl)ethyl]-5-(2-methylpyrazol-3-yl)-3H-isoindol-1-one
PubChem CID71555269
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC Name2-[2-amino-1-(3-fluorophenyl)ethyl]-5-(2-methylpyrazol-3-yl)-3H-isoindol-1-one
SMILESCn1nccc1-c1ccc2c(c1)CN(C(CN)c1cccc(F)c1)C2=O
InChIInChI=1S/C20H19FN4O/c1-24-18(7-8-23-24)14-5-6-17-15(9-14)12-25(20(17)26)19(11-22)13-3-2-4-16(21)10-13/h2-10,19H,11-12,22H2,1H3
InChIKeyNAZOOGWMSSDUNK-UHFFFAOYSA-N
XLogP2.88
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-amino-1-(3-fluorophenyl)ethyl]-5-(2-methylpyrazol-3-yl)-3H-isoindol-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-1-(3-fluorophenyl)ethyl]-5-(2-methylpyrazol-3-yl)-3H-isoindol-1-one?
The IUPAC name of 2-[2-amino-1-(3-fluorophenyl)ethyl]-5-(2-methylpyrazol-3-yl)-3H-isoindol-1-one (CID 71555269) is 2-[2-amino-1-(3-fluorophenyl)ethyl]-5-(2-methylpyrazol-3-yl)-3H-isoindol-1-one.
What is the SMILES notation for 2-[2-amino-1-(3-fluorophenyl)ethyl]-5-(2-methylpyrazol-3-yl)-3H-isoindol-1-one?
The canonical SMILES for 2-[2-amino-1-(3-fluorophenyl)ethyl]-5-(2-methylpyrazol-3-yl)-3H-isoindol-1-one is Cn1nccc1-c1ccc2c(c1)CN(C(CN)c1cccc(F)c1)C2=O.
What is the InChIKey of 2-[2-amino-1-(3-fluorophenyl)ethyl]-5-(2-methylpyrazol-3-yl)-3H-isoindol-1-one?
The InChIKey is NAZOOGWMSSDUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c1-24-18(7-8-23-24)14-5-6-17-15(9-14)12-25(20(17)26)19(11-22)13-3-2-4-16(21)10-13/h2-10,19H,11-12,22H2,1H3.
What are the key properties of 2-[2-amino-1-(3-fluorophenyl)ethyl]-5-(2-methylpyrazol-3-yl)-3H-isoindol-1-one?
2-[2-amino-1-(3-fluorophenyl)ethyl]-5-(2-methylpyrazol-3-yl)-3H-isoindol-1-one has a molecular weight of 350.40 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-1-(3-fluorophenyl)ethyl]-5-(2-methylpyrazol-3-yl)-3H-isoindol-1-one is sourced from PubChem (CID 71555269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).