3-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-N-methylbenzamide

C21H18FN5O — CID 130200333

IUPAC3-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-N-methylbenzamide
SMILESCCn1cnc2c(-c3ccc(F)c(-c4cccc(C(=O)NC)c4)c3)cnnc21
InChIInChI=1S/C21H18FN5O/c1-3-27-12-24-19-17(11-25-26-20(19)27)14-7-8-18(22)16(10-14)13-5-4-6-15(9-13)21(28)23-2/h4-12H,3H2,1-2H3,(H,23,28)
InChIKeyXTPJUXFTENKVKC-UHFFFAOYSA-N
MW375.41 g/mol
LogP3.68
Rot. Bonds4

About 3-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-N-methylbenzamide

3-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-N-methylbenzamide (PubChem CID 130200333) has the molecular formula C21H18FN5O and a molecular weight of 375.41 g/mol. Its IUPAC name is 3-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-N-methylbenzamide
PubChem CID130200333
Molecular FormulaC21H18FN5O
Molecular Weight375.41 g/mol
Exact Mass375.15
IUPAC Name3-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-N-methylbenzamide
SMILESCCn1cnc2c(-c3ccc(F)c(-c4cccc(C(=O)NC)c4)c3)cnnc21
InChIInChI=1S/C21H18FN5O/c1-3-27-12-24-19-17(11-25-26-20(19)27)14-7-8-18(22)16(10-14)13-5-4-6-15(9-13)21(28)23-2/h4-12H,3H2,1-2H3,(H,23,28)
InChIKeyXTPJUXFTENKVKC-UHFFFAOYSA-N
XLogP3.68
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(7-ethylimidazo[4,5-c]pyridazin-4-yl)phenyl]boronic acid
CID 90217850
7-ethyl-4-[3-(4-ethyl-2-methoxyphenyl)-4-fluorophenyl]imidazo[4,5-c]pyridazine
CID 175962275
4-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-3-methoxybenzonitrile
CID 155557616
CID 90217848
CID 90217848
4-[3-(4-ethylsulfonylphenyl)-4-fluorophenyl]-7-propylimidazo[4,5-c]pyridazine
CID 90224612
3-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-2-methoxy-1,8-naphthyridine
CID 169156271
5-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-6-methoxy-1,2-benzoxazole
CID 170335103
7-ethyl-4-[4-fluoro-3-(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-7-yl)phenyl]imidazo[4,5-c]pyridazine
CID 169156282
7-ethyl-4-[4-fluoro-3-[2-methoxy-4-[(1S)-1-methylsulfonylethyl]phenyl]phenyl]imidazo[4,5-c]pyridazine
CID 175946639
6-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-7-methoxy-3-methyl-1,3-benzoxazol-2-one
CID 170573067
4-[3-(4-cyclopropylsulfonyl-2-methoxyphenyl)-4-fluorophenyl]-7-ethylimidazo[4,5-c]pyridazine
CID 90218258
7-ethyl-4-[4-fluoro-3-[4-methoxy-1-(oxetan-3-yl)benzimidazol-5-yl]phenyl]imidazo[4,5-c]pyridazine
CID 175489142

Frequently Asked Questions

What is the IUPAC name of 3-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-N-methylbenzamide?
The IUPAC name of 3-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-N-methylbenzamide (CID 130200333) is 3-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-N-methylbenzamide.
What is the SMILES notation for 3-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-N-methylbenzamide?
The canonical SMILES for 3-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-N-methylbenzamide is CCn1cnc2c(-c3ccc(F)c(-c4cccc(C(=O)NC)c4)c3)cnnc21.
What is the InChIKey of 3-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-N-methylbenzamide?
The InChIKey is XTPJUXFTENKVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O/c1-3-27-12-24-19-17(11-25-26-20(19)27)14-7-8-18(22)16(10-14)13-5-4-6-15(9-13)21(28)23-2/h4-12H,3H2,1-2H3,(H,23,28).
What are the key properties of 3-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-N-methylbenzamide?
3-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-N-methylbenzamide has a molecular weight of 375.41 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-N-methylbenzamide is sourced from PubChem (CID 130200333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).