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

C18H15BrCl2FN5O2 — CID 172554491

IUPAC4-[2-bromo-3-[(2-chloro-4-fluorophenyl)-methoxymethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-5-chloro-1H-pyridazin-6-one
SMILESCOC(c1ccc(F)cc1Cl)c1c(Br)nc2n1CCN(c1cn[nH]c(=O)c1Cl)C2
InChIInChI=1S/C18H15BrCl2FN5O2/c1-29-16(10-3-2-9(22)6-11(10)20)15-17(19)24-13-8-26(4-5-27(13)15)12-7-23-25-18(28)14(12)21/h2-3,6-7,16H,4-5,8H2,1H3,(H,25,28)
InChIKeyXZNXYGCUXIMCAG-UHFFFAOYSA-N
MW503.16 g/mol
LogP3.93
Rot. Bonds4

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

4-[2-bromo-3-[(2-chloro-4-fluorophenyl)-methoxymethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-5-chloro-1H-pyridazin-6-one (PubChem CID 172554491) has the molecular formula C18H15BrCl2FN5O2 and a molecular weight of 503.16 g/mol. Its IUPAC name is 4-[2-bromo-3-[(2-chloro-4-fluorophenyl)-methoxymethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-5-chloro-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[2-bromo-3-[(2-chloro-4-fluorophenyl)-methoxymethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-5-chloro-1H-pyridazin-6-one
PubChem CID172554491
Molecular FormulaC18H15BrCl2FN5O2
Molecular Weight503.16 g/mol
Exact Mass500.98
IUPAC Name4-[2-bromo-3-[(2-chloro-4-fluorophenyl)-methoxymethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-5-chloro-1H-pyridazin-6-one
SMILESCOC(c1ccc(F)cc1Cl)c1c(Br)nc2n1CCN(c1cn[nH]c(=O)c1Cl)C2
InChIInChI=1S/C18H15BrCl2FN5O2/c1-29-16(10-3-2-9(22)6-11(10)20)15-17(19)24-13-8-26(4-5-27(13)15)12-7-23-25-18(28)14(12)21/h2-3,6-7,16H,4-5,8H2,1H3,(H,25,28)
InChIKeyXZNXYGCUXIMCAG-UHFFFAOYSA-N
XLogP3.93
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.16
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[2-bromo-3-[(2-chloro-4-fluorophenyl)-methoxymethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-5-chloro-1H-pyridazin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-bromo-3-[(2-chloro-4-fluorophenyl)-methoxymethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-5-chloro-1H-pyridazin-6-one?
The IUPAC name of 4-[2-bromo-3-[(2-chloro-4-fluorophenyl)-methoxymethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-5-chloro-1H-pyridazin-6-one (CID 172554491) is 4-[2-bromo-3-[(2-chloro-4-fluorophenyl)-methoxymethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-5-chloro-1H-pyridazin-6-one.
What is the SMILES notation for 4-[2-bromo-3-[(2-chloro-4-fluorophenyl)-methoxymethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-5-chloro-1H-pyridazin-6-one?
The canonical SMILES for 4-[2-bromo-3-[(2-chloro-4-fluorophenyl)-methoxymethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-5-chloro-1H-pyridazin-6-one is COC(c1ccc(F)cc1Cl)c1c(Br)nc2n1CCN(c1cn[nH]c(=O)c1Cl)C2.
What is the InChIKey of 4-[2-bromo-3-[(2-chloro-4-fluorophenyl)-methoxymethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-5-chloro-1H-pyridazin-6-one?
The InChIKey is XZNXYGCUXIMCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrCl2FN5O2/c1-29-16(10-3-2-9(22)6-11(10)20)15-17(19)24-13-8-26(4-5-27(13)15)12-7-23-25-18(28)14(12)21/h2-3,6-7,16H,4-5,8H2,1H3,(H,25,28).
What are the key properties of 4-[2-bromo-3-[(2-chloro-4-fluorophenyl)-methoxymethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-5-chloro-1H-pyridazin-6-one?
4-[2-bromo-3-[(2-chloro-4-fluorophenyl)-methoxymethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-5-chloro-1H-pyridazin-6-one has a molecular weight of 503.16 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-bromo-3-[(2-chloro-4-fluorophenyl)-methoxymethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-5-chloro-1H-pyridazin-6-one is sourced from PubChem (CID 172554491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).