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

C33H32FN7O3 — CID 175489145

IUPAC5-[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
SMILESCCn1cnc2c(-c3ccc(F)c(-c4cnc(C5=c6ccc(OC)cc6=NC5C5CCN(C6COC6)CC5)o4)c3)cnnc21
InChIInChI=1S/C33H32FN7O3/c1-3-40-18-36-31-25(14-37-39-32(31)40)20-4-7-26(34)24(12-20)28-15-35-33(44-28)29-23-6-5-22(42-2)13-27(23)38-30(29)19-8-10-41(11-9-19)21-16-43-17-21/h4-7,12-15,18-19,21,30H,3,8-11,16-17H2,1-2H3
InChIKeyHOBQMOYBIBDSPO-UHFFFAOYSA-N
MW593.66 g/mol
LogP3.63
Rot. Bonds7

About 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

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 (PubChem CID 175489145) has the molecular formula C33H32FN7O3 and a molecular weight of 593.66 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID175489145
Molecular FormulaC33H32FN7O3
Molecular Weight593.66 g/mol
Exact Mass593.26
IUPAC Name5-[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
SMILESCCn1cnc2c(-c3ccc(F)c(-c4cnc(C5=c6ccc(OC)cc6=NC5C5CCN(C6COC6)CC5)o4)c3)cnnc21
InChIInChI=1S/C33H32FN7O3/c1-3-40-18-36-31-25(14-37-39-32(31)40)20-4-7-26(34)24(12-20)28-15-35-33(44-28)29-23-6-5-22(42-2)13-27(23)38-30(29)19-8-10-41(11-9-19)21-16-43-17-21/h4-7,12-15,18-19,21,30H,3,8-11,16-17H2,1-2H3
InChIKeyHOBQMOYBIBDSPO-UHFFFAOYSA-N
XLogP3.63
TPSA103.69 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500593.66
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

7-ethyl-4-[4-fluoro-3-[4-methoxy-1-(oxetan-3-yl)benzimidazol-5-yl]phenyl]imidazo[4,5-c]pyridazine
CID 175489142
7-ethyl-4-[3-(4-ethyl-2-methoxyphenyl)-4-fluorophenyl]imidazo[4,5-c]pyridazine
CID 175962275
7-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-8-methoxy-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine
CID 170334727
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-(7-methoxy-1-methylindazol-6-yl)phenyl]imidazo[4,5-c]pyridazine
CID 170334739
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-[2-(3-fluoro-1-methylpiperidin-4-yl)-6-methoxyindazol-5-yl]phenyl]imidazo[4,5-c]pyridazine
CID 175489140
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
4-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-3-methoxybenzonitrile
CID 155557616
7-ethyl-4-[4-fluoro-3-[2-methoxy-4-[(1S)-1-methylsulfonylethyl]phenyl]phenyl]imidazo[4,5-c]pyridazine
CID 175946639
7-ethyl-4-[3-(1-ethylsulfonyl-6-methoxyindazol-5-yl)-4-fluorophenyl]imidazo[4,5-c]pyridazine
CID 170334649

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCn1cnc2c(-c3ccc(F)c(-c4cnc(C5=c6ccc(OC)cc6=NC5C5CCN(C6COC6)CC5)o4)c3)cnnc21.
What is the InChIKey of 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?
The InChIKey is HOBQMOYBIBDSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32FN7O3/c1-3-40-18-36-31-25(14-37-39-32(31)40)20-4-7-26(34)24(12-20)28-15-35-33(44-28)29-23-6-5-22(42-2)13-27(23)38-30(29)19-8-10-41(11-9-19)21-16-43-17-21/h4-7,12-15,18-19,21,30H,3,8-11,16-17H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 593.66 g/mol, XLogP of 3.63, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 175489145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).