4-fluoro-N-[3-oxo-7-(pyrazin-2-ylamino)-1,2-dihydroisoindol-4-yl]benzamide

C19H14FN5O2 — CID 122639231

IUPAC4-fluoro-N-[3-oxo-7-(pyrazin-2-ylamino)-1,2-dihydroisoindol-4-yl]benzamide
SMILESO=C(Nc1ccc(Nc2cnccn2)c2c1C(=O)NC2)c1ccc(F)cc1
InChIInChI=1S/C19H14FN5O2/c20-12-3-1-11(2-4-12)18(26)25-15-6-5-14(13-9-23-19(27)17(13)15)24-16-10-21-7-8-22-16/h1-8,10H,9H2,(H,22,24)(H,23,27)(H,25,26)
InChIKeyWTVDHSLDEUDOSI-UHFFFAOYSA-N
MW363.35 g/mol
LogP2.86
Rot. Bonds4

About 4-fluoro-N-[3-oxo-7-(pyrazin-2-ylamino)-1,2-dihydroisoindol-4-yl]benzamide

4-fluoro-N-[3-oxo-7-(pyrazin-2-ylamino)-1,2-dihydroisoindol-4-yl]benzamide (PubChem CID 122639231) has the molecular formula C19H14FN5O2 and a molecular weight of 363.35 g/mol. Its IUPAC name is 4-fluoro-N-[3-oxo-7-(pyrazin-2-ylamino)-1,2-dihydroisoindol-4-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[3-oxo-7-(pyrazin-2-ylamino)-1,2-dihydroisoindol-4-yl]benzamide
PubChem CID122639231
Molecular FormulaC19H14FN5O2
Molecular Weight363.35 g/mol
Exact Mass363.11
IUPAC Name4-fluoro-N-[3-oxo-7-(pyrazin-2-ylamino)-1,2-dihydroisoindol-4-yl]benzamide
SMILESO=C(Nc1ccc(Nc2cnccn2)c2c1C(=O)NC2)c1ccc(F)cc1
InChIInChI=1S/C19H14FN5O2/c20-12-3-1-11(2-4-12)18(26)25-15-6-5-14(13-9-23-19(27)17(13)15)24-16-10-21-7-8-22-16/h1-8,10H,9H2,(H,22,24)(H,23,27)(H,25,26)
InChIKeyWTVDHSLDEUDOSI-UHFFFAOYSA-N
XLogP2.86
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.35
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-(7-hydroxy-3-oxo-1,2-dihydroisoindol-4-yl)benzamide
CID 122639404
4-fluoro-N-(3-oxo-7-quinolin-6-yl-1,2-dihydroisoindol-4-yl)benzamide
CID 122639250
N-(3-oxo-7-pyridin-3-yl-1,2-dihydroisoindol-4-yl)benzamide
CID 122639225
N-[7-(2,3-dimethoxyphenyl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-fluorobenzamide
CID 122639167
N-(4-fluorophenyl)-4-[(pyrazin-2-ylamino)methyl]benzamide
CID 122144317
N-[7-(3-methylanilino)-3-oxo-1,2-dihydroisoindol-4-yl]benzamide
CID 122639190
4-hydroxy-N-pyrazin-2-ylbenzamide
CID 43422735
4-fluoro-N-(1-oxo-5-phenyl-3,4-dihydro-2H-isoquinolin-8-yl)benzamide
CID 122639159
6-fluoro-N-pyrazin-2-ylpyridine-3-carboxamide
CID 63971040
4-amino-N-pyrazin-2-ylbenzamide
CID 43616023
N-[7-(3,4-difluorophenyl)-3-oxo-1,2-dihydroisoindol-4-yl]benzamide
CID 122639240
4-fluoro-N-(6-pyrazin-2-yl-3-pyridinyl)benzamide
CID 169324519

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-oxo-7-(pyrazin-2-ylamino)-1,2-dihydroisoindol-4-yl]benzamide?
The IUPAC name of 4-fluoro-N-[3-oxo-7-(pyrazin-2-ylamino)-1,2-dihydroisoindol-4-yl]benzamide (CID 122639231) is 4-fluoro-N-[3-oxo-7-(pyrazin-2-ylamino)-1,2-dihydroisoindol-4-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[3-oxo-7-(pyrazin-2-ylamino)-1,2-dihydroisoindol-4-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[3-oxo-7-(pyrazin-2-ylamino)-1,2-dihydroisoindol-4-yl]benzamide is O=C(Nc1ccc(Nc2cnccn2)c2c1C(=O)NC2)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[3-oxo-7-(pyrazin-2-ylamino)-1,2-dihydroisoindol-4-yl]benzamide?
The InChIKey is WTVDHSLDEUDOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5O2/c20-12-3-1-11(2-4-12)18(26)25-15-6-5-14(13-9-23-19(27)17(13)15)24-16-10-21-7-8-22-16/h1-8,10H,9H2,(H,22,24)(H,23,27)(H,25,26).
What are the key properties of 4-fluoro-N-[3-oxo-7-(pyrazin-2-ylamino)-1,2-dihydroisoindol-4-yl]benzamide?
4-fluoro-N-[3-oxo-7-(pyrazin-2-ylamino)-1,2-dihydroisoindol-4-yl]benzamide has a molecular weight of 363.35 g/mol, XLogP of 2.86, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-oxo-7-(pyrazin-2-ylamino)-1,2-dihydroisoindol-4-yl]benzamide is sourced from PubChem (CID 122639231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).