3-[4-(cyclopenten-1-yl)-2-fluoroanilino]-1-[4-[2-(2,3-dihydro-1H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one

C24H24FN7O — CID 177060666

IUPAC3-[4-(cyclopenten-1-yl)-2-fluoroanilino]-1-[4-[2-(2,3-dihydro-1H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one
SMILESO=c1c(Nc2ccc(C3=CCCC3)cc2F)nccn1-c1ccc(CCC2=NNNN2)cc1
InChIInChI=1S/C24H24FN7O/c25-20-15-18(17-3-1-2-4-17)8-11-21(20)27-23-24(33)32(14-13-26-23)19-9-5-16(6-10-19)7-12-22-28-30-31-29-22/h3,5-6,8-11,13-15,30-31H,1-2,4,7,12H2,(H,26,27)(H,28,29)
InChIKeyOYXYYDXVRFXKOJ-UHFFFAOYSA-N
MW445.50 g/mol
LogP3.54
Rot. Bonds7

About 3-[4-(cyclopenten-1-yl)-2-fluoroanilino]-1-[4-[2-(2,3-dihydro-1H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one

3-[4-(cyclopenten-1-yl)-2-fluoroanilino]-1-[4-[2-(2,3-dihydro-1H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one (PubChem CID 177060666) has the molecular formula C24H24FN7O and a molecular weight of 445.50 g/mol. Its IUPAC name is 3-[4-(cyclopenten-1-yl)-2-fluoroanilino]-1-[4-[2-(2,3-dihydro-1H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one.

Molecular Properties

Compound Name3-[4-(cyclopenten-1-yl)-2-fluoroanilino]-1-[4-[2-(2,3-dihydro-1H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one
PubChem CID177060666
Molecular FormulaC24H24FN7O
Molecular Weight445.50 g/mol
Exact Mass445.20
IUPAC Name3-[4-(cyclopenten-1-yl)-2-fluoroanilino]-1-[4-[2-(2,3-dihydro-1H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one
SMILESO=c1c(Nc2ccc(C3=CCCC3)cc2F)nccn1-c1ccc(CCC2=NNNN2)cc1
InChIInChI=1S/C24H24FN7O/c25-20-15-18(17-3-1-2-4-17)8-11-21(20)27-23-24(33)32(14-13-26-23)19-9-5-16(6-10-19)7-12-22-28-30-31-29-22/h3,5-6,8-11,13-15,30-31H,1-2,4,7,12H2,(H,26,27)(H,28,29)
InChIKeyOYXYYDXVRFXKOJ-UHFFFAOYSA-N
XLogP3.54
TPSA95.37 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 53.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

3-(4-cyclopropyl-2-fluoroanilino)-1-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one
CID 177060542
N,N'-diamino-3-[4-[3-[2-fluoro-4-(1H-1,2,4-triazol-5-yl)anilino]-2-oxopyrazin-1-yl]phenyl]propanimidamide
CID 177060546
N,N'-diamino-3-[4-[3-(4-bromo-2-fluoroanilino)-2-oxopyrazin-1-yl]phenyl]propanimidamide
CID 177060477
N,N'-diamino-3-[4-[3-(4-cyclopropyl-2-fluoroanilino)-2-oxopyrazin-1-yl]phenyl]propanimidamide
CID 177060404
3-(2-fluoro-5-hydroxyanilino)-1-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one
CID 177060397
3-(2-chloro-4-cyclopentyloxyanilino)-1-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one
CID 177060611
3-[2-fluoro-4-(trifluoromethyl)anilino]-1-[4-[2-(2H-tetrazol-5-yl)ethoxy]phenyl]pyrazin-2-one
CID 177060378
3-[5-methyl-2-(2,2,2-trifluoroethoxy)anilino]-1-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one
CID 177060751
3-(2-chloro-4-methoxyanilino)-1-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one
CID 177060723
3-[(4-chlorophenyl)methylamino]-1-(4-fluorophenyl)pyrazin-2-one
CID 20941583
4-[2-[[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide
CID 20941586
3-[3-fluoro-4-(2,2,2-trifluoroethoxy)anilino]-1-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one
CID 177060610

Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclopenten-1-yl)-2-fluoroanilino]-1-[4-[2-(2,3-dihydro-1H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one?
The IUPAC name of 3-[4-(cyclopenten-1-yl)-2-fluoroanilino]-1-[4-[2-(2,3-dihydro-1H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one (CID 177060666) is 3-[4-(cyclopenten-1-yl)-2-fluoroanilino]-1-[4-[2-(2,3-dihydro-1H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one.
What is the SMILES notation for 3-[4-(cyclopenten-1-yl)-2-fluoroanilino]-1-[4-[2-(2,3-dihydro-1H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one?
The canonical SMILES for 3-[4-(cyclopenten-1-yl)-2-fluoroanilino]-1-[4-[2-(2,3-dihydro-1H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one is O=c1c(Nc2ccc(C3=CCCC3)cc2F)nccn1-c1ccc(CCC2=NNNN2)cc1.
What is the InChIKey of 3-[4-(cyclopenten-1-yl)-2-fluoroanilino]-1-[4-[2-(2,3-dihydro-1H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one?
The InChIKey is OYXYYDXVRFXKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN7O/c25-20-15-18(17-3-1-2-4-17)8-11-21(20)27-23-24(33)32(14-13-26-23)19-9-5-16(6-10-19)7-12-22-28-30-31-29-22/h3,5-6,8-11,13-15,30-31H,1-2,4,7,12H2,(H,26,27)(H,28,29).
What are the key properties of 3-[4-(cyclopenten-1-yl)-2-fluoroanilino]-1-[4-[2-(2,3-dihydro-1H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one?
3-[4-(cyclopenten-1-yl)-2-fluoroanilino]-1-[4-[2-(2,3-dihydro-1H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one has a molecular weight of 445.50 g/mol, XLogP of 3.54, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclopenten-1-yl)-2-fluoroanilino]-1-[4-[2-(2,3-dihydro-1H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one is sourced from PubChem (CID 177060666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).