7-ethyl-4-[3-(1-ethylsulfonyl-6-methoxyindazol-5-yl)-4-fluorophenyl]imidazo[4,5-c]pyridazine

C23H21FN6O3S — CID 170334649

IUPAC7-ethyl-4-[3-(1-ethylsulfonyl-6-methoxyindazol-5-yl)-4-fluorophenyl]imidazo[4,5-c]pyridazine
SMILESCCn1cnc2c(-c3ccc(F)c(-c4cc5cnn(S(=O)(=O)CC)c5cc4OC)c3)cnnc21
InChIInChI=1S/C23H21FN6O3S/c1-4-29-13-25-22-18(12-26-28-23(22)29)14-6-7-19(24)16(8-14)17-9-15-11-27-30(34(31,32)5-2)20(15)10-21(17)33-3/h6-13H,4-5H2,1-3H3
InChIKeyBTVGQKMMNWGCMY-UHFFFAOYSA-N
MW480.53 g/mol
LogP3.88
Rot. Bonds6

About 7-ethyl-4-[3-(1-ethylsulfonyl-6-methoxyindazol-5-yl)-4-fluorophenyl]imidazo[4,5-c]pyridazine

7-ethyl-4-[3-(1-ethylsulfonyl-6-methoxyindazol-5-yl)-4-fluorophenyl]imidazo[4,5-c]pyridazine (PubChem CID 170334649) has the molecular formula C23H21FN6O3S and a molecular weight of 480.53 g/mol. Its IUPAC name is 7-ethyl-4-[3-(1-ethylsulfonyl-6-methoxyindazol-5-yl)-4-fluorophenyl]imidazo[4,5-c]pyridazine.

Molecular Properties

Compound Name7-ethyl-4-[3-(1-ethylsulfonyl-6-methoxyindazol-5-yl)-4-fluorophenyl]imidazo[4,5-c]pyridazine
PubChem CID170334649
Molecular FormulaC23H21FN6O3S
Molecular Weight480.53 g/mol
Exact Mass480.14
IUPAC Name7-ethyl-4-[3-(1-ethylsulfonyl-6-methoxyindazol-5-yl)-4-fluorophenyl]imidazo[4,5-c]pyridazine
SMILESCCn1cnc2c(-c3ccc(F)c(-c4cc5cnn(S(=O)(=O)CC)c5cc4OC)c3)cnnc21
InChIInChI=1S/C23H21FN6O3S/c1-4-29-13-25-22-18(12-26-28-23(22)29)14-6-7-19(24)16(8-14)17-9-15-11-27-30(34(31,32)5-2)20(15)10-21(17)33-3/h6-13H,4-5H2,1-3H3
InChIKeyBTVGQKMMNWGCMY-UHFFFAOYSA-N
XLogP3.88
TPSA104.79 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.53
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

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-methoxy-4-[(1S)-1-methylsulfonylethyl]phenyl]phenyl]imidazo[4,5-c]pyridazine
CID 175946639
7-ethyl-4-[3-(4-ethyl-2-methoxyphenyl)-4-fluorophenyl]imidazo[4,5-c]pyridazine
CID 175962275
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
4-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-3-methoxybenzonitrile
CID 155557616
7-ethyl-4-[4-fluoro-3-(7-methoxy-1-methylindazol-6-yl)phenyl]imidazo[4,5-c]pyridazine
CID 170334739
3-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-2-methoxy-1,8-naphthyridine
CID 169156271
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-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-N-methylbenzenesulfonamide
CID 90218309
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

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-4-[3-(1-ethylsulfonyl-6-methoxyindazol-5-yl)-4-fluorophenyl]imidazo[4,5-c]pyridazine?
The IUPAC name of 7-ethyl-4-[3-(1-ethylsulfonyl-6-methoxyindazol-5-yl)-4-fluorophenyl]imidazo[4,5-c]pyridazine (CID 170334649) is 7-ethyl-4-[3-(1-ethylsulfonyl-6-methoxyindazol-5-yl)-4-fluorophenyl]imidazo[4,5-c]pyridazine.
What is the SMILES notation for 7-ethyl-4-[3-(1-ethylsulfonyl-6-methoxyindazol-5-yl)-4-fluorophenyl]imidazo[4,5-c]pyridazine?
The canonical SMILES for 7-ethyl-4-[3-(1-ethylsulfonyl-6-methoxyindazol-5-yl)-4-fluorophenyl]imidazo[4,5-c]pyridazine is CCn1cnc2c(-c3ccc(F)c(-c4cc5cnn(S(=O)(=O)CC)c5cc4OC)c3)cnnc21.
What is the InChIKey of 7-ethyl-4-[3-(1-ethylsulfonyl-6-methoxyindazol-5-yl)-4-fluorophenyl]imidazo[4,5-c]pyridazine?
The InChIKey is BTVGQKMMNWGCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O3S/c1-4-29-13-25-22-18(12-26-28-23(22)29)14-6-7-19(24)16(8-14)17-9-15-11-27-30(34(31,32)5-2)20(15)10-21(17)33-3/h6-13H,4-5H2,1-3H3.
What are the key properties of 7-ethyl-4-[3-(1-ethylsulfonyl-6-methoxyindazol-5-yl)-4-fluorophenyl]imidazo[4,5-c]pyridazine?
7-ethyl-4-[3-(1-ethylsulfonyl-6-methoxyindazol-5-yl)-4-fluorophenyl]imidazo[4,5-c]pyridazine has a molecular weight of 480.53 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-4-[3-(1-ethylsulfonyl-6-methoxyindazol-5-yl)-4-fluorophenyl]imidazo[4,5-c]pyridazine is sourced from PubChem (CID 170334649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).