4-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-N,N-dimethylbenzamide

C22H20FN5O — CID 118582714

IUPAC4-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-N,N-dimethylbenzamide
SMILESCCn1cnc2c(-c3ccc(F)c(-c4ccc(C(=O)N(C)C)cc4)c3)cnnc21
InChIInChI=1S/C22H20FN5O/c1-4-28-13-24-20-18(12-25-26-21(20)28)16-9-10-19(23)17(11-16)14-5-7-15(8-6-14)22(29)27(2)3/h5-13H,4H2,1-3H3
InChIKeyAGOGGKXFKNFMIO-UHFFFAOYSA-N
MW389.43 g/mol
LogP4.02
Rot. Bonds4

About 4-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-N,N-dimethylbenzamide

4-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-N,N-dimethylbenzamide (PubChem CID 118582714) has the molecular formula C22H20FN5O and a molecular weight of 389.43 g/mol. Its IUPAC name is 4-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-N,N-dimethylbenzamide
PubChem CID118582714
Molecular FormulaC22H20FN5O
Molecular Weight389.43 g/mol
Exact Mass389.17
IUPAC Name4-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-N,N-dimethylbenzamide
SMILESCCn1cnc2c(-c3ccc(F)c(-c4ccc(C(=O)N(C)C)cc4)c3)cnnc21
InChIInChI=1S/C22H20FN5O/c1-4-28-13-24-20-18(12-25-26-21(20)28)16-9-10-19(23)17(11-16)14-5-7-15(8-6-14)22(29)27(2)3/h5-13H,4H2,1-3H3
InChIKeyAGOGGKXFKNFMIO-UHFFFAOYSA-N
XLogP4.02
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-N,N-dimethylbenzamide (CID 118582714) is 4-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-N,N-dimethylbenzamide is CCn1cnc2c(-c3ccc(F)c(-c4ccc(C(=O)N(C)C)cc4)c3)cnnc21.
What is the InChIKey of 4-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-N,N-dimethylbenzamide?
The InChIKey is AGOGGKXFKNFMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O/c1-4-28-13-24-20-18(12-25-26-21(20)28)16-9-10-19(23)17(11-16)14-5-7-15(8-6-14)22(29)27(2)3/h5-13H,4H2,1-3H3.
What are the key properties of 4-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-N,N-dimethylbenzamide?
4-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-N,N-dimethylbenzamide has a molecular weight of 389.43 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 118582714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).