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

C20H18ClF4N5O2 — CID 172554486

IUPAC5-chloro-4-[3-[ethoxy-[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one
SMILESCCOC(c1ccc(F)cc1C(F)(F)F)c1cnc2n1CCN(c1cn[nH]c(=O)c1Cl)C2
InChIInChI=1S/C20H18ClF4N5O2/c1-2-32-18(12-4-3-11(22)7-13(12)20(23,24)25)15-8-26-16-10-29(5-6-30(15)16)14-9-27-28-19(31)17(14)21/h3-4,7-9,18H,2,5-6,10H2,1H3,(H,28,31)
InChIKeyCREWAABNMYHSAW-UHFFFAOYSA-N
MW471.84 g/mol
LogP3.92
Rot. Bonds5

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

5-chloro-4-[3-[ethoxy-[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one (PubChem CID 172554486) has the molecular formula C20H18ClF4N5O2 and a molecular weight of 471.84 g/mol. Its IUPAC name is 5-chloro-4-[3-[ethoxy-[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[3-[ethoxy-[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one
PubChem CID172554486
Molecular FormulaC20H18ClF4N5O2
Molecular Weight471.84 g/mol
Exact Mass471.11
IUPAC Name5-chloro-4-[3-[ethoxy-[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one
SMILESCCOC(c1ccc(F)cc1C(F)(F)F)c1cnc2n1CCN(c1cn[nH]c(=O)c1Cl)C2
InChIInChI=1S/C20H18ClF4N5O2/c1-2-32-18(12-4-3-11(22)7-13(12)20(23,24)25)15-8-26-16-10-29(5-6-30(15)16)14-9-27-28-19(31)17(14)21/h3-4,7-9,18H,2,5-6,10H2,1H3,(H,28,31)
InChIKeyCREWAABNMYHSAW-UHFFFAOYSA-N
XLogP3.92
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.84
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-chloro-4-[3-[ethoxy-[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-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-[ethoxy-[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[3-[ethoxy-[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one (CID 172554486) is 5-chloro-4-[3-[ethoxy-[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-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-[ethoxy-[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[3-[ethoxy-[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one is CCOC(c1ccc(F)cc1C(F)(F)F)c1cnc2n1CCN(c1cn[nH]c(=O)c1Cl)C2.
What is the InChIKey of 5-chloro-4-[3-[ethoxy-[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one?
The InChIKey is CREWAABNMYHSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF4N5O2/c1-2-32-18(12-4-3-11(22)7-13(12)20(23,24)25)15-8-26-16-10-29(5-6-30(15)16)14-9-27-28-19(31)17(14)21/h3-4,7-9,18H,2,5-6,10H2,1H3,(H,28,31).
What are the key properties of 5-chloro-4-[3-[ethoxy-[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one?
5-chloro-4-[3-[ethoxy-[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one has a molecular weight of 471.84 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[3-[ethoxy-[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 172554486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).