7-ethyl-4-[4-fluoro-3-(pyridin-2-ylmethoxy)phenyl]imidazo[4,5-c]pyridazine

C19H16FN5O — CID 155525518

IUPAC7-ethyl-4-[4-fluoro-3-(pyridin-2-ylmethoxy)phenyl]imidazo[4,5-c]pyridazine
SMILESCCn1cnc2c(-c3ccc(F)c(OCc4ccccn4)c3)cnnc21
InChIInChI=1S/C19H16FN5O/c1-2-25-12-22-18-15(10-23-24-19(18)25)13-6-7-16(20)17(9-13)26-11-14-5-3-4-8-21-14/h3-10,12H,2,11H2,1H3
InChIKeyPDMAHQABXQRDBM-UHFFFAOYSA-N
MW349.37 g/mol
LogP3.63
Rot. Bonds5

About 7-ethyl-4-[4-fluoro-3-(pyridin-2-ylmethoxy)phenyl]imidazo[4,5-c]pyridazine

7-ethyl-4-[4-fluoro-3-(pyridin-2-ylmethoxy)phenyl]imidazo[4,5-c]pyridazine (PubChem CID 155525518) has the molecular formula C19H16FN5O and a molecular weight of 349.37 g/mol. Its IUPAC name is 7-ethyl-4-[4-fluoro-3-(pyridin-2-ylmethoxy)phenyl]imidazo[4,5-c]pyridazine.

Molecular Properties

Compound Name7-ethyl-4-[4-fluoro-3-(pyridin-2-ylmethoxy)phenyl]imidazo[4,5-c]pyridazine
PubChem CID155525518
Molecular FormulaC19H16FN5O
Molecular Weight349.37 g/mol
Exact Mass349.13
IUPAC Name7-ethyl-4-[4-fluoro-3-(pyridin-2-ylmethoxy)phenyl]imidazo[4,5-c]pyridazine
SMILESCCn1cnc2c(-c3ccc(F)c(OCc4ccccn4)c3)cnnc21
InChIInChI=1S/C19H16FN5O/c1-2-25-12-22-18-15(10-23-24-19(18)25)13-6-7-16(20)17(9-13)26-11-14-5-3-4-8-21-14/h3-10,12H,2,11H2,1H3
InChIKeyPDMAHQABXQRDBM-UHFFFAOYSA-N
XLogP3.63
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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CID 73386882

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-4-[4-fluoro-3-(pyridin-2-ylmethoxy)phenyl]imidazo[4,5-c]pyridazine?
The IUPAC name of 7-ethyl-4-[4-fluoro-3-(pyridin-2-ylmethoxy)phenyl]imidazo[4,5-c]pyridazine (CID 155525518) is 7-ethyl-4-[4-fluoro-3-(pyridin-2-ylmethoxy)phenyl]imidazo[4,5-c]pyridazine.
What is the SMILES notation for 7-ethyl-4-[4-fluoro-3-(pyridin-2-ylmethoxy)phenyl]imidazo[4,5-c]pyridazine?
The canonical SMILES for 7-ethyl-4-[4-fluoro-3-(pyridin-2-ylmethoxy)phenyl]imidazo[4,5-c]pyridazine is CCn1cnc2c(-c3ccc(F)c(OCc4ccccn4)c3)cnnc21.
What is the InChIKey of 7-ethyl-4-[4-fluoro-3-(pyridin-2-ylmethoxy)phenyl]imidazo[4,5-c]pyridazine?
The InChIKey is PDMAHQABXQRDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O/c1-2-25-12-22-18-15(10-23-24-19(18)25)13-6-7-16(20)17(9-13)26-11-14-5-3-4-8-21-14/h3-10,12H,2,11H2,1H3.
What are the key properties of 7-ethyl-4-[4-fluoro-3-(pyridin-2-ylmethoxy)phenyl]imidazo[4,5-c]pyridazine?
7-ethyl-4-[4-fluoro-3-(pyridin-2-ylmethoxy)phenyl]imidazo[4,5-c]pyridazine has a molecular weight of 349.37 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-4-[4-fluoro-3-(pyridin-2-ylmethoxy)phenyl]imidazo[4,5-c]pyridazine is sourced from PubChem (CID 155525518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).