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

C18H14ClF4N5O2 — CID 169023497

IUPAC5-chloro-4-[3-[[4-fluoro-2-(trifluoromethyl)phenyl]-hydroxymethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N2CCn3c(C(O)c4ccc(F)cc4C(F)(F)F)cnc3C2)c1Cl
InChIInChI=1S/C18H14ClF4N5O2/c19-15-12(7-25-26-17(15)30)27-3-4-28-13(6-24-14(28)8-27)16(29)10-2-1-9(20)5-11(10)18(21,22)23/h1-2,5-7,16,29H,3-4,8H2,(H,26,30)
InChIKeyGVSROFVLPDAHRD-UHFFFAOYSA-N
MW443.79 g/mol
LogP2.88
Rot. Bonds3

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

5-chloro-4-[3-[[4-fluoro-2-(trifluoromethyl)phenyl]-hydroxymethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one (PubChem CID 169023497) has the molecular formula C18H14ClF4N5O2 and a molecular weight of 443.79 g/mol. Its IUPAC name is 5-chloro-4-[3-[[4-fluoro-2-(trifluoromethyl)phenyl]-hydroxymethyl]-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)phenyl]-hydroxymethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one
PubChem CID169023497
Molecular FormulaC18H14ClF4N5O2
Molecular Weight443.79 g/mol
Exact Mass443.08
IUPAC Name5-chloro-4-[3-[[4-fluoro-2-(trifluoromethyl)phenyl]-hydroxymethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N2CCn3c(C(O)c4ccc(F)cc4C(F)(F)F)cnc3C2)c1Cl
InChIInChI=1S/C18H14ClF4N5O2/c19-15-12(7-25-26-17(15)30)27-3-4-28-13(6-24-14(28)8-27)16(29)10-2-1-9(20)5-11(10)18(21,22)23/h1-2,5-7,16,29H,3-4,8H2,(H,26,30)
InChIKeyGVSROFVLPDAHRD-UHFFFAOYSA-N
XLogP2.88
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.79
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[3-[[4-fluoro-2-(trifluoromethyl)phenyl]-hydroxymethyl]-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)phenyl]-hydroxymethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one (CID 169023497) is 5-chloro-4-[3-[[4-fluoro-2-(trifluoromethyl)phenyl]-hydroxymethyl]-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)phenyl]-hydroxymethyl]-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)phenyl]-hydroxymethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one is O=c1[nH]ncc(N2CCn3c(C(O)c4ccc(F)cc4C(F)(F)F)cnc3C2)c1Cl.
What is the InChIKey of 5-chloro-4-[3-[[4-fluoro-2-(trifluoromethyl)phenyl]-hydroxymethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one?
The InChIKey is GVSROFVLPDAHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF4N5O2/c19-15-12(7-25-26-17(15)30)27-3-4-28-13(6-24-14(28)8-27)16(29)10-2-1-9(20)5-11(10)18(21,22)23/h1-2,5-7,16,29H,3-4,8H2,(H,26,30).
What are the key properties of 5-chloro-4-[3-[[4-fluoro-2-(trifluoromethyl)phenyl]-hydroxymethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one?
5-chloro-4-[3-[[4-fluoro-2-(trifluoromethyl)phenyl]-hydroxymethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one has a molecular weight of 443.79 g/mol, XLogP of 2.88, 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)phenyl]-hydroxymethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 169023497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).