7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-[1-(3-pyrazol-1-ylpropyl)piperidin-4-yl]cinnoline

C27H29FN8 — CID 146585391

IUPAC7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-[1-(3-pyrazol-1-ylpropyl)piperidin-4-yl]cinnoline
SMILESCc1cn2nc(-c3cc(F)c4cc(C5CCN(CCCn6cccn6)CC5)nnc4c3)cc(C)c2n1
InChIInChI=1S/C27H29FN8/c1-18-13-25(33-36-17-19(2)30-27(18)36)21-14-23(28)22-16-24(31-32-26(22)15-21)20-5-11-34(12-6-20)8-4-10-35-9-3-7-29-35/h3,7,9,13-17,20H,4-6,8,10-12H2,1-2H3
InChIKeyHQFJKJBXSTVADR-UHFFFAOYSA-N
MW484.58 g/mol
LogP4.56
Rot. Bonds6

About 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-[1-(3-pyrazol-1-ylpropyl)piperidin-4-yl]cinnoline

7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-[1-(3-pyrazol-1-ylpropyl)piperidin-4-yl]cinnoline (PubChem CID 146585391) has the molecular formula C27H29FN8 and a molecular weight of 484.58 g/mol. Its IUPAC name is 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-[1-(3-pyrazol-1-ylpropyl)piperidin-4-yl]cinnoline.

Molecular Properties

Compound Name7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-[1-(3-pyrazol-1-ylpropyl)piperidin-4-yl]cinnoline
PubChem CID146585391
Molecular FormulaC27H29FN8
Molecular Weight484.58 g/mol
Exact Mass484.25
IUPAC Name7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-[1-(3-pyrazol-1-ylpropyl)piperidin-4-yl]cinnoline
SMILESCc1cn2nc(-c3cc(F)c4cc(C5CCN(CCCn6cccn6)CC5)nnc4c3)cc(C)c2n1
InChIInChI=1S/C27H29FN8/c1-18-13-25(33-36-17-19(2)30-27(18)36)21-14-23(28)22-16-24(31-32-26(22)15-21)20-5-11-34(12-6-20)8-4-10-35-9-3-7-29-35/h3,7,9,13-17,20H,4-6,8,10-12H2,1-2H3
InChIKeyHQFJKJBXSTVADR-UHFFFAOYSA-N
XLogP4.56
TPSA77.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.58
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-[1-(2-fluoroethyl)piperidin-4-yl]cinnoline
CID 146585408
3-[1-[3-(benzimidazol-1-yl)propyl]piperidin-4-yl]-7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluorocinnoline;trihydrochloride
CID 153495809
5-fluoro-7-[2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazin-6-yl]-3-piperidin-4-ylcinnoline
CID 142492339
3-[(2S,6S)-2,6-diethyl-1-methylpiperidin-4-yl]-7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluorocinnoline
CID 146585528
7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-[(2S,6S)-1,2,6-trimethylpiperidin-4-yl]cinnoline
CID 146585498
7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-[(2S,6S)-1-(2-fluoroethyl)-2,6-dimethylpiperidin-4-yl]cinnoline
CID 137357742
6-[5-fluoro-3-(1-methylpiperidin-4-yl)cinnolin-7-yl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile;trihydrochloride
CID 153495802
3-(1-ethylpiperidin-4-yl)-5-fluoro-7-(2-methylimidazo[1,2-b]pyridazin-6-yl)cinnoline;dihydrochloride
CID 146585439
6-[8-fluoro-2-[1-(3-methoxypropyl)piperidin-4-yl]imidazo[1,2-a]pyridin-6-yl]-2,8-dimethylimidazo[1,2-b]pyridazine
CID 170593597
2-cyclohexyl-6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroquinoxaline
CID 158932290
[3-[7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluorocinnolin-3-yl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamic acid
CID 146585440
dicesium;acetonitrile;8-bromo-6-chloro-2-methylimidazo[1,2-b]pyridazine;7-chloro-3-cyclohexyl-5-fluorocinnoline;6-chloro-2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazine;3-cyclohexyl-5-fluoro-7-[2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazin-6-yl]cinnoline;5-fluoro-7-[2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazin-6-yl]-3-piperidin-4-ylcinnoline;hydride;oxido formate;3-pyrazol-1-ylpropan-1-ol;dihydrochloride
CID 167639730

Frequently Asked Questions

What is the IUPAC name of 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-[1-(3-pyrazol-1-ylpropyl)piperidin-4-yl]cinnoline?
The IUPAC name of 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-[1-(3-pyrazol-1-ylpropyl)piperidin-4-yl]cinnoline (CID 146585391) is 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-[1-(3-pyrazol-1-ylpropyl)piperidin-4-yl]cinnoline.
What is the SMILES notation for 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-[1-(3-pyrazol-1-ylpropyl)piperidin-4-yl]cinnoline?
The canonical SMILES for 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-[1-(3-pyrazol-1-ylpropyl)piperidin-4-yl]cinnoline is Cc1cn2nc(-c3cc(F)c4cc(C5CCN(CCCn6cccn6)CC5)nnc4c3)cc(C)c2n1.
What is the InChIKey of 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-[1-(3-pyrazol-1-ylpropyl)piperidin-4-yl]cinnoline?
The InChIKey is HQFJKJBXSTVADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN8/c1-18-13-25(33-36-17-19(2)30-27(18)36)21-14-23(28)22-16-24(31-32-26(22)15-21)20-5-11-34(12-6-20)8-4-10-35-9-3-7-29-35/h3,7,9,13-17,20H,4-6,8,10-12H2,1-2H3.
What are the key properties of 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-[1-(3-pyrazol-1-ylpropyl)piperidin-4-yl]cinnoline?
7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-[1-(3-pyrazol-1-ylpropyl)piperidin-4-yl]cinnoline has a molecular weight of 484.58 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-[1-(3-pyrazol-1-ylpropyl)piperidin-4-yl]cinnoline is sourced from PubChem (CID 146585391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).