5-[(5-bromo-2-pyridinyl)methoxy]-2-[2-(2,3-dihydro-1H-isoindol-5-yl)ethyl]pyridazin-3-one

C20H19BrN4O2 — CID 68892396

IUPAC5-[(5-bromo-2-pyridinyl)methoxy]-2-[2-(2,3-dihydro-1H-isoindol-5-yl)ethyl]pyridazin-3-one
SMILESO=c1cc(OCc2ccc(Br)cn2)cnn1CCc1ccc2c(c1)CNC2
InChIInChI=1S/C20H19BrN4O2/c21-17-3-4-18(23-11-17)13-27-19-8-20(26)25(24-12-19)6-5-14-1-2-15-9-22-10-16(15)7-14/h1-4,7-8,11-12,22H,5-6,9-10,13H2
InChIKeyRMCPJMHTXWZRBP-UHFFFAOYSA-N
MW427.30 g/mol
LogP2.83
Rot. Bonds6

About 5-[(5-bromo-2-pyridinyl)methoxy]-2-[2-(2,3-dihydro-1H-isoindol-5-yl)ethyl]pyridazin-3-one

5-[(5-bromo-2-pyridinyl)methoxy]-2-[2-(2,3-dihydro-1H-isoindol-5-yl)ethyl]pyridazin-3-one (PubChem CID 68892396) has the molecular formula C20H19BrN4O2 and a molecular weight of 427.30 g/mol. Its IUPAC name is 5-[(5-bromo-2-pyridinyl)methoxy]-2-[2-(2,3-dihydro-1H-isoindol-5-yl)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-[(5-bromo-2-pyridinyl)methoxy]-2-[2-(2,3-dihydro-1H-isoindol-5-yl)ethyl]pyridazin-3-one
PubChem CID68892396
Molecular FormulaC20H19BrN4O2
Molecular Weight427.30 g/mol
Exact Mass426.07
IUPAC Name5-[(5-bromo-2-pyridinyl)methoxy]-2-[2-(2,3-dihydro-1H-isoindol-5-yl)ethyl]pyridazin-3-one
SMILESO=c1cc(OCc2ccc(Br)cn2)cnn1CCc1ccc2c(c1)CNC2
InChIInChI=1S/C20H19BrN4O2/c21-17-3-4-18(23-11-17)13-27-19-8-20(26)25(24-12-19)6-5-14-1-2-15-9-22-10-16(15)7-14/h1-4,7-8,11-12,22H,5-6,9-10,13H2
InChIKeyRMCPJMHTXWZRBP-UHFFFAOYSA-N
XLogP2.83
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.30
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-2-pyridinyl)methoxy]-2-[2-(2,3-dihydro-1H-isoindol-5-yl)ethyl]pyridazin-3-one?
The IUPAC name of 5-[(5-bromo-2-pyridinyl)methoxy]-2-[2-(2,3-dihydro-1H-isoindol-5-yl)ethyl]pyridazin-3-one (CID 68892396) is 5-[(5-bromo-2-pyridinyl)methoxy]-2-[2-(2,3-dihydro-1H-isoindol-5-yl)ethyl]pyridazin-3-one.
What is the SMILES notation for 5-[(5-bromo-2-pyridinyl)methoxy]-2-[2-(2,3-dihydro-1H-isoindol-5-yl)ethyl]pyridazin-3-one?
The canonical SMILES for 5-[(5-bromo-2-pyridinyl)methoxy]-2-[2-(2,3-dihydro-1H-isoindol-5-yl)ethyl]pyridazin-3-one is O=c1cc(OCc2ccc(Br)cn2)cnn1CCc1ccc2c(c1)CNC2.
What is the InChIKey of 5-[(5-bromo-2-pyridinyl)methoxy]-2-[2-(2,3-dihydro-1H-isoindol-5-yl)ethyl]pyridazin-3-one?
The InChIKey is RMCPJMHTXWZRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN4O2/c21-17-3-4-18(23-11-17)13-27-19-8-20(26)25(24-12-19)6-5-14-1-2-15-9-22-10-16(15)7-14/h1-4,7-8,11-12,22H,5-6,9-10,13H2.
What are the key properties of 5-[(5-bromo-2-pyridinyl)methoxy]-2-[2-(2,3-dihydro-1H-isoindol-5-yl)ethyl]pyridazin-3-one?
5-[(5-bromo-2-pyridinyl)methoxy]-2-[2-(2,3-dihydro-1H-isoindol-5-yl)ethyl]pyridazin-3-one has a molecular weight of 427.30 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-2-pyridinyl)methoxy]-2-[2-(2,3-dihydro-1H-isoindol-5-yl)ethyl]pyridazin-3-one is sourced from PubChem (CID 68892396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).