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

C19H16ClF4N5O2 — CID 172554482

IUPAC5-chloro-4-[3-[[4-fluoro-3-(trifluoromethyl)phenyl]-methoxymethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one
SMILESCOC(c1ccc(F)c(C(F)(F)F)c1)c1cnc2n1CCN(c1cn[nH]c(=O)c1Cl)C2
InChIInChI=1S/C19H16ClF4N5O2/c1-31-17(10-2-3-12(21)11(6-10)19(22,23)24)14-7-25-15-9-28(4-5-29(14)15)13-8-26-27-18(30)16(13)20/h2-3,6-8,17H,4-5,9H2,1H3,(H,27,30)
InChIKeyUNHSVDAVQPXJHJ-UHFFFAOYSA-N
MW457.82 g/mol
LogP3.53
Rot. Bonds4

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

5-chloro-4-[3-[[4-fluoro-3-(trifluoromethyl)phenyl]-methoxymethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one (PubChem CID 172554482) has the molecular formula C19H16ClF4N5O2 and a molecular weight of 457.82 g/mol. Its IUPAC name is 5-chloro-4-[3-[[4-fluoro-3-(trifluoromethyl)phenyl]-methoxymethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[3-[[4-fluoro-3-(trifluoromethyl)phenyl]-methoxymethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one
PubChem CID172554482
Molecular FormulaC19H16ClF4N5O2
Molecular Weight457.82 g/mol
Exact Mass457.09
IUPAC Name5-chloro-4-[3-[[4-fluoro-3-(trifluoromethyl)phenyl]-methoxymethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one
SMILESCOC(c1ccc(F)c(C(F)(F)F)c1)c1cnc2n1CCN(c1cn[nH]c(=O)c1Cl)C2
InChIInChI=1S/C19H16ClF4N5O2/c1-31-17(10-2-3-12(21)11(6-10)19(22,23)24)14-7-25-15-9-28(4-5-29(14)15)13-8-26-27-18(30)16(13)20/h2-3,6-8,17H,4-5,9H2,1H3,(H,27,30)
InChIKeyUNHSVDAVQPXJHJ-UHFFFAOYSA-N
XLogP3.53
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.82
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-chloro-4-[3-[[4-fluoro-3-(trifluoromethyl)phenyl]-methoxymethyl]-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-3-(trifluoromethyl)phenyl]-methoxymethyl]-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-3-(trifluoromethyl)phenyl]-methoxymethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one (CID 172554482) is 5-chloro-4-[3-[[4-fluoro-3-(trifluoromethyl)phenyl]-methoxymethyl]-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-3-(trifluoromethyl)phenyl]-methoxymethyl]-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-3-(trifluoromethyl)phenyl]-methoxymethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one is COC(c1ccc(F)c(C(F)(F)F)c1)c1cnc2n1CCN(c1cn[nH]c(=O)c1Cl)C2.
What is the InChIKey of 5-chloro-4-[3-[[4-fluoro-3-(trifluoromethyl)phenyl]-methoxymethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one?
The InChIKey is UNHSVDAVQPXJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF4N5O2/c1-31-17(10-2-3-12(21)11(6-10)19(22,23)24)14-7-25-15-9-28(4-5-29(14)15)13-8-26-27-18(30)16(13)20/h2-3,6-8,17H,4-5,9H2,1H3,(H,27,30).
What are the key properties of 5-chloro-4-[3-[[4-fluoro-3-(trifluoromethyl)phenyl]-methoxymethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one?
5-chloro-4-[3-[[4-fluoro-3-(trifluoromethyl)phenyl]-methoxymethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one has a molecular weight of 457.82 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[3-[[4-fluoro-3-(trifluoromethyl)phenyl]-methoxymethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 172554482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).