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

C19H15ClF3N5O2 — CID 166929585

IUPAC5-chloro-4-[3-[4-methyl-2-(trifluoromethyl)benzoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one
SMILESCc1ccc(C(=O)c2cnc3n2CCN(c2cn[nH]c(=O)c2Cl)C3)c(C(F)(F)F)c1
InChIInChI=1S/C19H15ClF3N5O2/c1-10-2-3-11(12(6-10)19(21,22)23)17(29)14-7-24-15-9-27(4-5-28(14)15)13-8-25-26-18(30)16(13)20/h2-3,6-8H,4-5,9H2,1H3,(H,26,30)
InChIKeyQXKCKKAQPNDFLI-UHFFFAOYSA-N
MW437.81 g/mol
LogP3.20
Rot. Bonds3

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

5-chloro-4-[3-[4-methyl-2-(trifluoromethyl)benzoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one (PubChem CID 166929585) has the molecular formula C19H15ClF3N5O2 and a molecular weight of 437.81 g/mol. Its IUPAC name is 5-chloro-4-[3-[4-methyl-2-(trifluoromethyl)benzoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[3-[4-methyl-2-(trifluoromethyl)benzoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one
PubChem CID166929585
Molecular FormulaC19H15ClF3N5O2
Molecular Weight437.81 g/mol
Exact Mass437.09
IUPAC Name5-chloro-4-[3-[4-methyl-2-(trifluoromethyl)benzoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one
SMILESCc1ccc(C(=O)c2cnc3n2CCN(c2cn[nH]c(=O)c2Cl)C3)c(C(F)(F)F)c1
InChIInChI=1S/C19H15ClF3N5O2/c1-10-2-3-11(12(6-10)19(21,22)23)17(29)14-7-24-15-9-27(4-5-28(14)15)13-8-25-26-18(30)16(13)20/h2-3,6-8H,4-5,9H2,1H3,(H,26,30)
InChIKeyQXKCKKAQPNDFLI-UHFFFAOYSA-N
XLogP3.20
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.81
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[3-[4-methyl-2-(trifluoromethyl)benzoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one?
The IUPAC name of 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) is 5-chloro-4-[3-[4-methyl-2-(trifluoromethyl)benzoyl]-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-methyl-2-(trifluoromethyl)benzoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[3-[4-methyl-2-(trifluoromethyl)benzoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one is Cc1ccc(C(=O)c2cnc3n2CCN(c2cn[nH]c(=O)c2Cl)C3)c(C(F)(F)F)c1.
What is the InChIKey of 5-chloro-4-[3-[4-methyl-2-(trifluoromethyl)benzoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one?
The InChIKey is QXKCKKAQPNDFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3N5O2/c1-10-2-3-11(12(6-10)19(21,22)23)17(29)14-7-24-15-9-27(4-5-28(14)15)13-8-25-26-18(30)16(13)20/h2-3,6-8H,4-5,9H2,1H3,(H,26,30).
What are the key properties of 5-chloro-4-[3-[4-methyl-2-(trifluoromethyl)benzoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one?
5-chloro-4-[3-[4-methyl-2-(trifluoromethyl)benzoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one has a molecular weight of 437.81 g/mol, XLogP of 3.20, 3 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-methyl-2-(trifluoromethyl)benzoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 166929585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).