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

C19H16ClF4N5O — CID 172554480

IUPAC5-chloro-4-[3-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one
SMILESCC(c1ccc(F)cc1C(F)(F)F)c1cnc2n1CCN(c1cn[nH]c(=O)c1Cl)C2
InChIInChI=1S/C19H16ClF4N5O/c1-10(12-3-2-11(21)6-13(12)19(22,23)24)14-7-25-16-9-28(4-5-29(14)16)15-8-26-27-18(30)17(15)20/h2-3,6-8,10H,4-5,9H2,1H3,(H,27,30)
InChIKeyPKGZFXQUYVLPQZ-UHFFFAOYSA-N
MW441.82 g/mol
LogP3.95
Rot. Bonds3

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

5-chloro-4-[3-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one (PubChem CID 172554480) has the molecular formula C19H16ClF4N5O and a molecular weight of 441.82 g/mol. Its IUPAC name is 5-chloro-4-[3-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[3-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one
PubChem CID172554480
Molecular FormulaC19H16ClF4N5O
Molecular Weight441.82 g/mol
Exact Mass441.10
IUPAC Name5-chloro-4-[3-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one
SMILESCC(c1ccc(F)cc1C(F)(F)F)c1cnc2n1CCN(c1cn[nH]c(=O)c1Cl)C2
InChIInChI=1S/C19H16ClF4N5O/c1-10(12-3-2-11(21)6-13(12)19(22,23)24)14-7-25-16-9-28(4-5-29(14)16)15-8-26-27-18(30)17(15)20/h2-3,6-8,10H,4-5,9H2,1H3,(H,27,30)
InChIKeyPKGZFXQUYVLPQZ-UHFFFAOYSA-N
XLogP3.95
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.82
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-chloro-4-[3-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-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-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[3-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one (CID 172554480) is 5-chloro-4-[3-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-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-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[3-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one is CC(c1ccc(F)cc1C(F)(F)F)c1cnc2n1CCN(c1cn[nH]c(=O)c1Cl)C2.
What is the InChIKey of 5-chloro-4-[3-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one?
The InChIKey is PKGZFXQUYVLPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF4N5O/c1-10(12-3-2-11(21)6-13(12)19(22,23)24)14-7-25-16-9-28(4-5-29(14)16)15-8-26-27-18(30)17(15)20/h2-3,6-8,10H,4-5,9H2,1H3,(H,27,30).
What are the key properties of 5-chloro-4-[3-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one?
5-chloro-4-[3-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one has a molecular weight of 441.82 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[3-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 172554480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).