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

C22H20FN7O — CID 177060542

IUPAC3-(4-cyclopropyl-2-fluoroanilino)-1-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one
SMILESO=c1c(Nc2ccc(C3CC3)cc2F)nccn1-c1ccc(CCc2nn[nH]n2)cc1
InChIInChI=1S/C22H20FN7O/c23-18-13-16(15-4-5-15)6-9-19(18)25-21-22(31)30(12-11-24-21)17-7-1-14(2-8-17)3-10-20-26-28-29-27-20/h1-2,6-9,11-13,15H,3-5,10H2,(H,24,25)(H,26,27,28,29)
InChIKeyMQINTZONEVJHNL-UHFFFAOYSA-N
MW417.45 g/mol
LogP3.29
Rot. Bonds7

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

3-(4-cyclopropyl-2-fluoroanilino)-1-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one (PubChem CID 177060542) has the molecular formula C22H20FN7O and a molecular weight of 417.45 g/mol. Its IUPAC name is 3-(4-cyclopropyl-2-fluoroanilino)-1-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one.

Molecular Properties

Compound Name3-(4-cyclopropyl-2-fluoroanilino)-1-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one
PubChem CID177060542
Molecular FormulaC22H20FN7O
Molecular Weight417.45 g/mol
Exact Mass417.17
IUPAC Name3-(4-cyclopropyl-2-fluoroanilino)-1-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one
SMILESO=c1c(Nc2ccc(C3CC3)cc2F)nccn1-c1ccc(CCc2nn[nH]n2)cc1
InChIInChI=1S/C22H20FN7O/c23-18-13-16(15-4-5-15)6-9-19(18)25-21-22(31)30(12-11-24-21)17-7-1-14(2-8-17)3-10-20-26-28-29-27-20/h1-2,6-9,11-13,15H,3-5,10H2,(H,24,25)(H,26,27,28,29)
InChIKeyMQINTZONEVJHNL-UHFFFAOYSA-N
XLogP3.29
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.45
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-(4-cyclopropyl-2-fluoroanilino)-1-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one with MolForge

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

Launch Full Analysis

Related Compounds

3-(2-fluoro-5-hydroxyanilino)-1-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one
CID 177060397
N,N'-diamino-3-[4-[3-(4-cyclopropyl-2-fluoroanilino)-2-oxopyrazin-1-yl]phenyl]propanimidamide
CID 177060404
3-(2-chloro-4-cyclopentyloxyanilino)-1-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one
CID 177060611
3-(2-chloro-4-methoxyanilino)-1-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one
CID 177060723
3-[2-fluoro-4-(trifluoromethyl)anilino]-1-[4-[2-(2H-tetrazol-5-yl)ethoxy]phenyl]pyrazin-2-one
CID 177060378
3-[3-fluoro-4-(2,2,2-trifluoroethoxy)anilino]-1-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one
CID 177060610
3-(2-ethoxyanilino)-1-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one
CID 177060777
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-fluoro-4-(trifluoromethyl)anilino]-5-phenyl-1-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one
CID 177060677
3-[4-(cyclopenten-1-yl)-2-fluoroanilino]-1-[4-[2-(2,3-dihydro-1H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one
CID 177060666
N,N'-diamino-3-[4-[3-(4-bromo-2-fluoroanilino)-2-oxopyrazin-1-yl]phenyl]propanimidamide
CID 177060477
3-[(4-chlorophenyl)methylamino]-1-(4-fluorophenyl)pyrazin-2-one
CID 20941583

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopropyl-2-fluoroanilino)-1-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one?
The IUPAC name of 3-(4-cyclopropyl-2-fluoroanilino)-1-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one (CID 177060542) is 3-(4-cyclopropyl-2-fluoroanilino)-1-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one.
What is the SMILES notation for 3-(4-cyclopropyl-2-fluoroanilino)-1-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one?
The canonical SMILES for 3-(4-cyclopropyl-2-fluoroanilino)-1-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one is O=c1c(Nc2ccc(C3CC3)cc2F)nccn1-c1ccc(CCc2nn[nH]n2)cc1.
What is the InChIKey of 3-(4-cyclopropyl-2-fluoroanilino)-1-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one?
The InChIKey is MQINTZONEVJHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN7O/c23-18-13-16(15-4-5-15)6-9-19(18)25-21-22(31)30(12-11-24-21)17-7-1-14(2-8-17)3-10-20-26-28-29-27-20/h1-2,6-9,11-13,15H,3-5,10H2,(H,24,25)(H,26,27,28,29).
What are the key properties of 3-(4-cyclopropyl-2-fluoroanilino)-1-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one?
3-(4-cyclopropyl-2-fluoroanilino)-1-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one has a molecular weight of 417.45 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopropyl-2-fluoroanilino)-1-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one is sourced from PubChem (CID 177060542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).