7-ethyl-4-[4-fluoro-3-[4-methoxy-1-(oxetan-3-yl)benzimidazol-5-yl]phenyl]imidazo[4,5-c]pyridazine

C24H21FN6O2 — CID 175489142

IUPAC7-ethyl-4-[4-fluoro-3-[4-methoxy-1-(oxetan-3-yl)benzimidazol-5-yl]phenyl]imidazo[4,5-c]pyridazine
SMILESCCn1cnc2c(-c3ccc(F)c(-c4ccc5c(ncn5C5COC5)c4OC)c3)cnnc21
InChIInChI=1S/C24H21FN6O2/c1-3-30-12-26-21-18(9-28-29-24(21)30)14-4-6-19(25)17(8-14)16-5-7-20-22(23(16)32-2)27-13-31(20)15-10-33-11-15/h4-9,12-13,15H,3,10-11H2,1-2H3
InChIKeyKUFDQXVRQRXRTQ-UHFFFAOYSA-N
MW444.47 g/mol
LogP4.25
Rot. Bonds5

About 7-ethyl-4-[4-fluoro-3-[4-methoxy-1-(oxetan-3-yl)benzimidazol-5-yl]phenyl]imidazo[4,5-c]pyridazine

7-ethyl-4-[4-fluoro-3-[4-methoxy-1-(oxetan-3-yl)benzimidazol-5-yl]phenyl]imidazo[4,5-c]pyridazine (PubChem CID 175489142) has the molecular formula C24H21FN6O2 and a molecular weight of 444.47 g/mol. Its IUPAC name is 7-ethyl-4-[4-fluoro-3-[4-methoxy-1-(oxetan-3-yl)benzimidazol-5-yl]phenyl]imidazo[4,5-c]pyridazine.

Molecular Properties

Compound Name7-ethyl-4-[4-fluoro-3-[4-methoxy-1-(oxetan-3-yl)benzimidazol-5-yl]phenyl]imidazo[4,5-c]pyridazine
PubChem CID175489142
Molecular FormulaC24H21FN6O2
Molecular Weight444.47 g/mol
Exact Mass444.17
IUPAC Name7-ethyl-4-[4-fluoro-3-[4-methoxy-1-(oxetan-3-yl)benzimidazol-5-yl]phenyl]imidazo[4,5-c]pyridazine
SMILESCCn1cnc2c(-c3ccc(F)c(-c4ccc5c(ncn5C5COC5)c4OC)c3)cnnc21
InChIInChI=1S/C24H21FN6O2/c1-3-30-12-26-21-18(9-28-29-24(21)30)14-4-6-19(25)17(8-14)16-5-7-20-22(23(16)32-2)27-13-31(20)15-10-33-11-15/h4-9,12-13,15H,3,10-11H2,1-2H3
InChIKeyKUFDQXVRQRXRTQ-UHFFFAOYSA-N
XLogP4.25
TPSA79.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.47
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

6-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-7-methoxy-3-methyl-1,3-benzoxazol-2-one
CID 170573067
7-ethyl-4-[4-fluoro-3-(7-methoxy-1-methylindazol-6-yl)phenyl]imidazo[4,5-c]pyridazine
CID 170334739
7-ethyl-4-[3-(4-ethyl-2-methoxyphenyl)-4-fluorophenyl]imidazo[4,5-c]pyridazine
CID 175962275
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
4-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-3-methoxybenzonitrile
CID 155557616
4-[3-(4-cyclopropylsulfonyl-2-methoxyphenyl)-4-fluorophenyl]-7-ethylimidazo[4,5-c]pyridazine
CID 90218258
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-[3-(1-ethylsulfonyl-6-methoxyindazol-5-yl)-4-fluorophenyl]imidazo[4,5-c]pyridazine
CID 170334649
5-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-2-[6-methoxy-2-[1-(oxetan-3-yl)piperidin-4-yl]-2H-indol-3-yl]-1,3-oxazole
CID 175489145
4-(3-bromo-4-fluorophenyl)-7-ethylimidazo[4,5-c]pyridazine
CID 86723232
7-ethyl-4-[4-fluoro-3-[2-methoxy-4-[(1S)-1-methylsulfonylethyl]phenyl]phenyl]imidazo[4,5-c]pyridazine
CID 175946639

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-4-[4-fluoro-3-[4-methoxy-1-(oxetan-3-yl)benzimidazol-5-yl]phenyl]imidazo[4,5-c]pyridazine?
The IUPAC name of 7-ethyl-4-[4-fluoro-3-[4-methoxy-1-(oxetan-3-yl)benzimidazol-5-yl]phenyl]imidazo[4,5-c]pyridazine (CID 175489142) is 7-ethyl-4-[4-fluoro-3-[4-methoxy-1-(oxetan-3-yl)benzimidazol-5-yl]phenyl]imidazo[4,5-c]pyridazine.
What is the SMILES notation for 7-ethyl-4-[4-fluoro-3-[4-methoxy-1-(oxetan-3-yl)benzimidazol-5-yl]phenyl]imidazo[4,5-c]pyridazine?
The canonical SMILES for 7-ethyl-4-[4-fluoro-3-[4-methoxy-1-(oxetan-3-yl)benzimidazol-5-yl]phenyl]imidazo[4,5-c]pyridazine is CCn1cnc2c(-c3ccc(F)c(-c4ccc5c(ncn5C5COC5)c4OC)c3)cnnc21.
What is the InChIKey of 7-ethyl-4-[4-fluoro-3-[4-methoxy-1-(oxetan-3-yl)benzimidazol-5-yl]phenyl]imidazo[4,5-c]pyridazine?
The InChIKey is KUFDQXVRQRXRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6O2/c1-3-30-12-26-21-18(9-28-29-24(21)30)14-4-6-19(25)17(8-14)16-5-7-20-22(23(16)32-2)27-13-31(20)15-10-33-11-15/h4-9,12-13,15H,3,10-11H2,1-2H3.
What are the key properties of 7-ethyl-4-[4-fluoro-3-[4-methoxy-1-(oxetan-3-yl)benzimidazol-5-yl]phenyl]imidazo[4,5-c]pyridazine?
7-ethyl-4-[4-fluoro-3-[4-methoxy-1-(oxetan-3-yl)benzimidazol-5-yl]phenyl]imidazo[4,5-c]pyridazine has a molecular weight of 444.47 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-4-[4-fluoro-3-[4-methoxy-1-(oxetan-3-yl)benzimidazol-5-yl]phenyl]imidazo[4,5-c]pyridazine is sourced from PubChem (CID 175489142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).