5-chloro-4-[3-[4-fluoro-2-(trifluoromethyl)anilino]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one

C17H13ClF4N6O — CID 164855190

IUPAC5-chloro-4-[3-[4-fluoro-2-(trifluoromethyl)anilino]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N2CCn3c(Nc4ccc(F)cc4C(F)(F)F)cnc3C2)c1Cl
InChIInChI=1S/C17H13ClF4N6O/c18-15-12(6-24-26-16(15)29)27-3-4-28-13(7-23-14(28)8-27)25-11-2-1-9(19)5-10(11)17(20,21)22/h1-2,5-7,25H,3-4,8H2,(H,26,29)
InChIKeyPUZDNADMUYSUPO-UHFFFAOYSA-N
MW428.78 g/mol
LogP3.54
Rot. Bonds3

About 5-chloro-4-[3-[4-fluoro-2-(trifluoromethyl)anilino]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one

5-chloro-4-[3-[4-fluoro-2-(trifluoromethyl)anilino]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one (PubChem CID 164855190) has the molecular formula C17H13ClF4N6O and a molecular weight of 428.78 g/mol. Its IUPAC name is 5-chloro-4-[3-[4-fluoro-2-(trifluoromethyl)anilino]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[3-[4-fluoro-2-(trifluoromethyl)anilino]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one
PubChem CID164855190
Molecular FormulaC17H13ClF4N6O
Molecular Weight428.78 g/mol
Exact Mass428.08
IUPAC Name5-chloro-4-[3-[4-fluoro-2-(trifluoromethyl)anilino]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N2CCn3c(Nc4ccc(F)cc4C(F)(F)F)cnc3C2)c1Cl
InChIInChI=1S/C17H13ClF4N6O/c18-15-12(6-24-26-16(15)29)27-3-4-28-13(7-23-14(28)8-27)25-11-2-1-9(19)5-10(11)17(20,21)22/h1-2,5-7,25H,3-4,8H2,(H,26,29)
InChIKeyPUZDNADMUYSUPO-UHFFFAOYSA-N
XLogP3.54
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.78
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-4-[3-[4-methyl-2-(trifluoromethyl)phenyl]sulfinyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one
CID 166929614
5-chloro-4-[3-[4-methyl-2-(trifluoromethyl)benzoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one
CID 166929585
5-chloro-4-[4-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one
CID 138471944
3-[7-(5-chloro-6-oxo-1H-pyridazin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3-[4-fluoro-2-(trifluoromethyl)phenyl]propanenitrile
CID 172554476
5-chloro-4-[3-[(4-fluoro-2-methylphenyl)-(trideuteriomethoxy)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one
CID 172554478
5-chloro-4-[4-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-1H-pyridazin-6-one
CID 155698008
7-(5-chloro-6-oxo-1H-pyridazin-4-yl)-4-[4-fluoro-N-methyl-2-(trifluoromethyl)anilino]-1-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-one
CID 146467183
5-chloro-4-[3-[[2-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-1H-pyridazin-6-one
CID 166929570
5-chloro-4-[4-[4-fluoro-2-(trifluoromethyl)phenoxy]-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-1H-pyridazin-6-one
CID 175629798
5-chloro-4-[3-(2,4-dimethylbenzoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one
CID 170116562
5-chloro-4-[3-(4-chloro-2-methylbenzoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one
CID 170116547
5-chloro-4-[4-[(E)-2-fluoro-2-[4-fluoro-2-(trifluoromethyl)phenyl]ethenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-1H-pyridazin-6-one
CID 177107856

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[3-[4-fluoro-2-(trifluoromethyl)anilino]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[3-[4-fluoro-2-(trifluoromethyl)anilino]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one (CID 164855190) is 5-chloro-4-[3-[4-fluoro-2-(trifluoromethyl)anilino]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[3-[4-fluoro-2-(trifluoromethyl)anilino]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[3-[4-fluoro-2-(trifluoromethyl)anilino]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one is O=c1[nH]ncc(N2CCn3c(Nc4ccc(F)cc4C(F)(F)F)cnc3C2)c1Cl.
What is the InChIKey of 5-chloro-4-[3-[4-fluoro-2-(trifluoromethyl)anilino]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one?
The InChIKey is PUZDNADMUYSUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF4N6O/c18-15-12(6-24-26-16(15)29)27-3-4-28-13(7-23-14(28)8-27)25-11-2-1-9(19)5-10(11)17(20,21)22/h1-2,5-7,25H,3-4,8H2,(H,26,29).
What are the key properties of 5-chloro-4-[3-[4-fluoro-2-(trifluoromethyl)anilino]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one?
5-chloro-4-[3-[4-fluoro-2-(trifluoromethyl)anilino]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one has a molecular weight of 428.78 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[3-[4-fluoro-2-(trifluoromethyl)anilino]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 164855190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).