5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[6-(1-methylazetidin-3-yl)pyridazin-3-yl]phenol

C22H22N6O — CID 168895423

IUPAC5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[6-(1-methylazetidin-3-yl)pyridazin-3-yl]phenol
SMILESCc1cn2nc(-c3ccc(-c4ccc(C5CN(C)C5)nn4)c(O)c3)cc(C)c2n1
InChIInChI=1S/C22H22N6O/c1-13-8-20(26-28-10-14(2)23-22(13)28)15-4-5-17(21(29)9-15)19-7-6-18(24-25-19)16-11-27(3)12-16/h4-10,16,29H,11-12H2,1-3H3
InChIKeyBMEJHYVAMGVSJA-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.20
Rot. Bonds3

About 5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[6-(1-methylazetidin-3-yl)pyridazin-3-yl]phenol

5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[6-(1-methylazetidin-3-yl)pyridazin-3-yl]phenol (PubChem CID 168895423) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is 5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[6-(1-methylazetidin-3-yl)pyridazin-3-yl]phenol.

Molecular Properties

Compound Name5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[6-(1-methylazetidin-3-yl)pyridazin-3-yl]phenol
PubChem CID168895423
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC Name5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[6-(1-methylazetidin-3-yl)pyridazin-3-yl]phenol
SMILESCc1cn2nc(-c3ccc(-c4ccc(C5CN(C)C5)nn4)c(O)c3)cc(C)c2n1
InChIInChI=1S/C22H22N6O/c1-13-8-20(26-28-10-14(2)23-22(13)28)15-4-5-17(21(29)9-15)19-7-6-18(24-25-19)16-11-27(3)12-16/h4-10,16,29H,11-12H2,1-3H3
InChIKeyBMEJHYVAMGVSJA-UHFFFAOYSA-N
XLogP3.20
TPSA79.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[6-(1-ethylazetidin-3-yl)pyridazin-3-yl]phenol
CID 168895445
5-(2,7-dimethylpyrazolo[4,3-b]pyridin-5-yl)-2-[6-(1-ethylazetidin-3-yl)pyridazin-3-yl]phenol
CID 168895654
6-[3-hydroxy-4-[3-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenyl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile
CID 156887410
2-[6-(azetidin-3-yl)pyridazin-3-yl]-5-(2,7-dimethylpyrazolo[4,3-b]pyridin-5-yl)phenol;ethane
CID 168895712
5-(2-methylpyrazolo[4,3-b]pyridin-5-yl)-2-[6-[1-(oxan-4-yl)azetidin-3-yl]pyridazin-3-yl]phenol;hydrochloride
CID 168895619
7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-[(2S,6S)-1,2,6-trimethylpiperidin-4-yl]cinnoline
CID 146585498
6-[8-fluoro-2-[(1S,5R)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]imidazo[1,2-a]pyridin-6-yl]-2,8-dimethylimidazo[1,2-b]pyridazine
CID 170593790
5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[6-[1-[(3-methyloxetan-3-yl)methyl]azetidin-3-yl]pyridazin-3-yl]phenol
CID 168895432
2-[6-(azetidin-3-yl)pyridazin-3-yl]-5-(2-methylimidazo[1,2-a]pyridin-6-yl)phenol;hydrochloride
CID 168895636
2-[6-(azetidin-3-yl)pyridazin-3-yl]-5-(7-ethoxy-2-methylindazol-5-yl)phenol
CID 168895497
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-[1-(2-fluoroethyl)piperidin-4-yl]cinnoline
CID 146585408

Frequently Asked Questions

What is the IUPAC name of 5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[6-(1-methylazetidin-3-yl)pyridazin-3-yl]phenol?
The IUPAC name of 5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[6-(1-methylazetidin-3-yl)pyridazin-3-yl]phenol (CID 168895423) is 5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[6-(1-methylazetidin-3-yl)pyridazin-3-yl]phenol.
What is the SMILES notation for 5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[6-(1-methylazetidin-3-yl)pyridazin-3-yl]phenol?
The canonical SMILES for 5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[6-(1-methylazetidin-3-yl)pyridazin-3-yl]phenol is Cc1cn2nc(-c3ccc(-c4ccc(C5CN(C)C5)nn4)c(O)c3)cc(C)c2n1.
What is the InChIKey of 5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[6-(1-methylazetidin-3-yl)pyridazin-3-yl]phenol?
The InChIKey is BMEJHYVAMGVSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c1-13-8-20(26-28-10-14(2)23-22(13)28)15-4-5-17(21(29)9-15)19-7-6-18(24-25-19)16-11-27(3)12-16/h4-10,16,29H,11-12H2,1-3H3.
What are the key properties of 5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[6-(1-methylazetidin-3-yl)pyridazin-3-yl]phenol?
5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[6-(1-methylazetidin-3-yl)pyridazin-3-yl]phenol has a molecular weight of 386.46 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[6-(1-methylazetidin-3-yl)pyridazin-3-yl]phenol is sourced from PubChem (CID 168895423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).