3-(2,7-dimethylindazol-5-yl)-7-(1-ethylpiperidin-4-yl)-5-fluorocinnoline;[6-[5-fluoro-3-[1-(2-fluoroethyl)piperidin-4-yl]cinnolin-7-yl]-2-methylimidazo[1,2-b]pyridazin-8-yl]methanol;2-[4-[5-fluoro-7-[8-(hydroxymethyl)-2-methylimidazo[1,2-b]pyridazin-6-yl]cinnolin-3-yl]piperidin-1-yl]ethanol

C70H75F4N17O3 — CID 157401156

IUPAC3-(2,7-dimethylindazol-5-yl)-7-(1-ethylpiperidin-4-yl)-5-fluorocinnoline;[6-[5-fluoro-3-[1-(2-fluoroethyl)piperidin-4-yl]cinnolin-7-yl]-2-methylimidazo[1,2-b]pyridazin-8-yl]methanol;2-[4-[5-fluoro-7-[8-(hydroxymethyl)-2-methylimidazo[1,2-b]pyridazin-6-yl]cinnolin-3-yl]piperidin-1-yl]ethanol
SMILESCCN1CCC(c2cc(F)c3cc(-c4cc(C)c5nn(C)cc5c4)nnc3c2)CC1.Cc1cn2nc(-c3cc(F)c4cc(C5CCN(CCF)CC5)nnc4c3)cc(CO)c2n1.Cc1cn2nc(-c3cc(F)c4cc(C5CCN(CCO)CC5)nnc4c3)cc(CO)c2n1
InChIInChI=1S/C24H26FN5.C23H24F2N6O.C23H25FN6O2/c1-4-30-7-5-16(6-8-30)17-11-21(25)20-13-22(26-27-23(20)12-17)18-9-15(2)24-19(10-18)14-29(3)28-24;1-14-12-31-23(26-14)17(13-32)10-21(29-31)16-8-19(25)18-11-20(27-28-22(18)9-16)15-2-5-30(6-3-15)7-4-24;1-14-12-30-23(25-14)17(13-32)10-21(28-30)16-8-19(24)18-11-20(26-27-22(18)9-16)15-2-4-29(5-3-15)6-7-31/h9-14,16H,4-8H2,1-3H3;8-12,15,32H,2-7,13H2,1H3;8-12,15,31-32H,2-7,13H2,1H3
InChIKeyBNEHCFHCPXHYII-UHFFFAOYSA-N
MW1278.48 g/mol
LogP10.71
Rot. Bonds13

About 3-(2,7-dimethylindazol-5-yl)-7-(1-ethylpiperidin-4-yl)-5-fluorocinnoline;[6-[5-fluoro-3-[1-(2-fluoroethyl)piperidin-4-yl]cinnolin-7-yl]-2-methylimidazo[1,2-b]pyridazin-8-yl]methanol;2-[4-[5-fluoro-7-[8-(hydroxymethyl)-2-methylimidazo[1,2-b]pyridazin-6-yl]cinnolin-3-yl]piperidin-1-yl]ethanol

3-(2,7-dimethylindazol-5-yl)-7-(1-ethylpiperidin-4-yl)-5-fluorocinnoline;[6-[5-fluoro-3-[1-(2-fluoroethyl)piperidin-4-yl]cinnolin-7-yl]-2-methylimidazo[1,2-b]pyridazin-8-yl]methanol;2-[4-[5-fluoro-7-[8-(hydroxymethyl)-2-methylimidazo[1,2-b]pyridazin-6-yl]cinnolin-3-yl]piperidin-1-yl]ethanol (PubChem CID 157401156) has the molecular formula C70H75F4N17O3 and a molecular weight of 1278.48 g/mol. Its IUPAC name is 3-(2,7-dimethylindazol-5-yl)-7-(1-ethylpiperidin-4-yl)-5-fluorocinnoline;[6-[5-fluoro-3-[1-(2-fluoroethyl)piperidin-4-yl]cinnolin-7-yl]-2-methylimidazo[1,2-b]pyridazin-8-yl]methanol;2-[4-[5-fluoro-7-[8-(hydroxymethyl)-2-methylimidazo[1,2-b]pyridazin-6-yl]cinnolin-3-yl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name3-(2,7-dimethylindazol-5-yl)-7-(1-ethylpiperidin-4-yl)-5-fluorocinnoline;[6-[5-fluoro-3-[1-(2-fluoroethyl)piperidin-4-yl]cinnolin-7-yl]-2-methylimidazo[1,2-b]pyridazin-8-yl]methanol;2-[4-[5-fluoro-7-[8-(hydroxymethyl)-2-methylimidazo[1,2-b]pyridazin-6-yl]cinnolin-3-yl]piperidin-1-yl]ethanol
PubChem CID157401156
Molecular FormulaC70H75F4N17O3
Molecular Weight1278.48 g/mol
Exact Mass1277.62
IUPAC Name3-(2,7-dimethylindazol-5-yl)-7-(1-ethylpiperidin-4-yl)-5-fluorocinnoline;[6-[5-fluoro-3-[1-(2-fluoroethyl)piperidin-4-yl]cinnolin-7-yl]-2-methylimidazo[1,2-b]pyridazin-8-yl]methanol;2-[4-[5-fluoro-7-[8-(hydroxymethyl)-2-methylimidazo[1,2-b]pyridazin-6-yl]cinnolin-3-yl]piperidin-1-yl]ethanol
SMILESCCN1CCC(c2cc(F)c3cc(-c4cc(C)c5nn(C)cc5c4)nnc3c2)CC1.Cc1cn2nc(-c3cc(F)c4cc(C5CCN(CCF)CC5)nnc4c3)cc(CO)c2n1.Cc1cn2nc(-c3cc(F)c4cc(C5CCN(CCO)CC5)nnc4c3)cc(CO)c2n1
InChIInChI=1S/C24H26FN5.C23H24F2N6O.C23H25FN6O2/c1-4-30-7-5-16(6-8-30)17-11-21(25)20-13-22(26-27-23(20)12-17)18-9-15(2)24-19(10-18)14-29(3)28-24;1-14-12-31-23(26-14)17(13-32)10-21(29-31)16-8-19(25)18-11-20(27-28-22(18)9-16)15-2-5-30(6-3-15)7-4-24;1-14-12-30-23(25-14)17(13-32)10-21(28-30)16-8-19(24)18-11-20(26-27-22(18)9-16)15-2-4-29(5-3-15)6-7-31/h9-14,16H,4-8H2,1-3H3;8-12,15,32H,2-7,13H2,1H3;8-12,15,31-32H,2-7,13H2,1H3
InChIKeyBNEHCFHCPXHYII-UHFFFAOYSA-N
XLogP10.71
TPSA225.95 Ų
H-Bond Donors3
H-Bond Acceptors20
Rotatable Bonds13
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001278.48
LogP ≤ 510.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1020

Analyze 3-(2,7-dimethylindazol-5-yl)-7-(1-ethylpiperidin-4-yl)-5-fluorocinnoline;[6-[5-fluoro-3-[1-(2-fluoroethyl)piperidin-4-yl]cinnolin-7-yl]-2-methylimidazo[1,2-b]pyridazin-8-yl]methanol;2-[4-[5-fluoro-7-[8-(hydroxymethyl)-2-methylimidazo[1,2-b]pyridazin-6-yl]cinnolin-3-yl]piperidin-1-yl]ethanol with MolForge

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Related Compounds

1,1,1,3,3,3-hexafluoro-2-[4-[8-morpholin-4-yl-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-b]pyridazin-3-yl]phenyl]propan-2-ol
CID 121596865
1,1,1,3,3,3-Hexafluoro-2-[4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]propan-2-ol
CID 121596866
US11459329, Example 25
CID 149838721
US11459329, Example 19
CID 152243641
1-(5,7-Difluoroquinolin-6-yl)-1-[6-[1-(2-hydroxyethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]ethanol
CID 57917245
(1R)-1-(5,7-difluoroquinolin-6-yl)-1-[6-[1-(2-hydroxyethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]ethanol
CID 57917248
(Rac)-1-(7-fluoro-quinolin-6-yl)-1-{6-[1-(2-hydroxy-ethyl)-1h-pyrazol-4-yl]-imidazo[1,2-b]pyridazin-3-yl}-ethanol
CID 57917331
(Rac)-[6-(1-ethyl-1h-pyrazol-4-yl)-imidazo[1,2-b]pyridazin-3-yl]-(7-fluoro-quinolin-6-yl)methanol
CID 57917373
(1R)-1-(7-fluoroquinolin-6-yl)-1-[6-[1-(2-hydroxyethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]ethanol
CID 57917457
[6-(1-Methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-[7-(trifluoromethyl)quinolin-6-yl]methanol
CID 68639321
(Rac)-(5,7-difluoro-quinolin-6-yl)-[6-(1-methyl-1h-pyrazol-4-yl)-imidazo[1,2-b]pyridazin-3-yl]-methanol
CID 68640982
2-(4-Fluorophenyl)-2-[2-[4-[3-[[4-[3-[[4-[4-[4-[5-[1-(4-fluorophenyl)-1-hydroxyethyl]pyrimidin-2-yl]-3-methylpiperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrazol-1-yl]methyl]-4-[4-[5-[2-(4-fluorophenyl)-1-hydroxypropan-2-yl]pyrimidin-2-yl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-3-ium-6-yl]pyrazol-1-yl]methyl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-3-ium-4-yl]piperazin-1-yl]pyrimidin-5-yl]propan-1-ol
CID 123217151

Frequently Asked Questions

What is the IUPAC name of 3-(2,7-dimethylindazol-5-yl)-7-(1-ethylpiperidin-4-yl)-5-fluorocinnoline;[6-[5-fluoro-3-[1-(2-fluoroethyl)piperidin-4-yl]cinnolin-7-yl]-2-methylimidazo[1,2-b]pyridazin-8-yl]methanol;2-[4-[5-fluoro-7-[8-(hydroxymethyl)-2-methylimidazo[1,2-b]pyridazin-6-yl]cinnolin-3-yl]piperidin-1-yl]ethanol?
The IUPAC name of 3-(2,7-dimethylindazol-5-yl)-7-(1-ethylpiperidin-4-yl)-5-fluorocinnoline;[6-[5-fluoro-3-[1-(2-fluoroethyl)piperidin-4-yl]cinnolin-7-yl]-2-methylimidazo[1,2-b]pyridazin-8-yl]methanol;2-[4-[5-fluoro-7-[8-(hydroxymethyl)-2-methylimidazo[1,2-b]pyridazin-6-yl]cinnolin-3-yl]piperidin-1-yl]ethanol (CID 157401156) is 3-(2,7-dimethylindazol-5-yl)-7-(1-ethylpiperidin-4-yl)-5-fluorocinnoline;[6-[5-fluoro-3-[1-(2-fluoroethyl)piperidin-4-yl]cinnolin-7-yl]-2-methylimidazo[1,2-b]pyridazin-8-yl]methanol;2-[4-[5-fluoro-7-[8-(hydroxymethyl)-2-methylimidazo[1,2-b]pyridazin-6-yl]cinnolin-3-yl]piperidin-1-yl]ethanol.
What is the SMILES notation for 3-(2,7-dimethylindazol-5-yl)-7-(1-ethylpiperidin-4-yl)-5-fluorocinnoline;[6-[5-fluoro-3-[1-(2-fluoroethyl)piperidin-4-yl]cinnolin-7-yl]-2-methylimidazo[1,2-b]pyridazin-8-yl]methanol;2-[4-[5-fluoro-7-[8-(hydroxymethyl)-2-methylimidazo[1,2-b]pyridazin-6-yl]cinnolin-3-yl]piperidin-1-yl]ethanol?
The canonical SMILES for 3-(2,7-dimethylindazol-5-yl)-7-(1-ethylpiperidin-4-yl)-5-fluorocinnoline;[6-[5-fluoro-3-[1-(2-fluoroethyl)piperidin-4-yl]cinnolin-7-yl]-2-methylimidazo[1,2-b]pyridazin-8-yl]methanol;2-[4-[5-fluoro-7-[8-(hydroxymethyl)-2-methylimidazo[1,2-b]pyridazin-6-yl]cinnolin-3-yl]piperidin-1-yl]ethanol is CCN1CCC(c2cc(F)c3cc(-c4cc(C)c5nn(C)cc5c4)nnc3c2)CC1.Cc1cn2nc(-c3cc(F)c4cc(C5CCN(CCF)CC5)nnc4c3)cc(CO)c2n1.Cc1cn2nc(-c3cc(F)c4cc(C5CCN(CCO)CC5)nnc4c3)cc(CO)c2n1.
What is the InChIKey of 3-(2,7-dimethylindazol-5-yl)-7-(1-ethylpiperidin-4-yl)-5-fluorocinnoline;[6-[5-fluoro-3-[1-(2-fluoroethyl)piperidin-4-yl]cinnolin-7-yl]-2-methylimidazo[1,2-b]pyridazin-8-yl]methanol;2-[4-[5-fluoro-7-[8-(hydroxymethyl)-2-methylimidazo[1,2-b]pyridazin-6-yl]cinnolin-3-yl]piperidin-1-yl]ethanol?
The InChIKey is BNEHCFHCPXHYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5.C23H24F2N6O.C23H25FN6O2/c1-4-30-7-5-16(6-8-30)17-11-21(25)20-13-22(26-27-23(20)12-17)18-9-15(2)24-19(10-18)14-29(3)28-24;1-14-12-31-23(26-14)17(13-32)10-21(29-31)16-8-19(25)18-11-20(27-28-22(18)9-16)15-2-5-30(6-3-15)7-4-24;1-14-12-30-23(25-14)17(13-32)10-21(28-30)16-8-19(24)18-11-20(26-27-22(18)9-16)15-2-4-29(5-3-15)6-7-31/h9-14,16H,4-8H2,1-3H3;8-12,15,32H,2-7,13H2,1H3;8-12,15,31-32H,2-7,13H2,1H3.
What are the key properties of 3-(2,7-dimethylindazol-5-yl)-7-(1-ethylpiperidin-4-yl)-5-fluorocinnoline;[6-[5-fluoro-3-[1-(2-fluoroethyl)piperidin-4-yl]cinnolin-7-yl]-2-methylimidazo[1,2-b]pyridazin-8-yl]methanol;2-[4-[5-fluoro-7-[8-(hydroxymethyl)-2-methylimidazo[1,2-b]pyridazin-6-yl]cinnolin-3-yl]piperidin-1-yl]ethanol?
3-(2,7-dimethylindazol-5-yl)-7-(1-ethylpiperidin-4-yl)-5-fluorocinnoline;[6-[5-fluoro-3-[1-(2-fluoroethyl)piperidin-4-yl]cinnolin-7-yl]-2-methylimidazo[1,2-b]pyridazin-8-yl]methanol;2-[4-[5-fluoro-7-[8-(hydroxymethyl)-2-methylimidazo[1,2-b]pyridazin-6-yl]cinnolin-3-yl]piperidin-1-yl]ethanol has a molecular weight of 1278.48 g/mol, XLogP of 10.71, 13 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,7-dimethylindazol-5-yl)-7-(1-ethylpiperidin-4-yl)-5-fluorocinnoline;[6-[5-fluoro-3-[1-(2-fluoroethyl)piperidin-4-yl]cinnolin-7-yl]-2-methylimidazo[1,2-b]pyridazin-8-yl]methanol;2-[4-[5-fluoro-7-[8-(hydroxymethyl)-2-methylimidazo[1,2-b]pyridazin-6-yl]cinnolin-3-yl]piperidin-1-yl]ethanol is sourced from PubChem (CID 157401156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).