7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-N-piperidin-4-yl-1,8-naphthyridin-3-amine

C21H23N7 — CID 168978407

IUPAC7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-N-piperidin-4-yl-1,8-naphthyridin-3-amine
SMILESCc1cn2nc(-c3ccc4cc(NC5CCNCC5)cnc4n3)cc(C)c2n1
InChIInChI=1S/C21H23N7/c1-13-9-19(27-28-12-14(2)24-21(13)28)18-4-3-15-10-17(11-23-20(15)26-18)25-16-5-7-22-8-6-16/h3-4,9-12,16,22,25H,5-8H2,1-2H3
InChIKeyREHDAWFDASFIPI-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.12
Rot. Bonds3

About 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-N-piperidin-4-yl-1,8-naphthyridin-3-amine

7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-N-piperidin-4-yl-1,8-naphthyridin-3-amine (PubChem CID 168978407) has the molecular formula C21H23N7 and a molecular weight of 373.46 g/mol. Its IUPAC name is 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-N-piperidin-4-yl-1,8-naphthyridin-3-amine.

Molecular Properties

Compound Name7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-N-piperidin-4-yl-1,8-naphthyridin-3-amine
PubChem CID168978407
Molecular FormulaC21H23N7
Molecular Weight373.46 g/mol
Exact Mass373.20
IUPAC Name7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-N-piperidin-4-yl-1,8-naphthyridin-3-amine
SMILESCc1cn2nc(-c3ccc4cc(NC5CCNCC5)cnc4n3)cc(C)c2n1
InChIInChI=1S/C21H23N7/c1-13-9-19(27-28-12-14(2)24-21(13)28)18-4-3-15-10-17(11-23-20(15)26-18)25-16-5-7-22-8-6-16/h3-4,9-12,16,22,25H,5-8H2,1-2H3
InChIKeyREHDAWFDASFIPI-UHFFFAOYSA-N
XLogP3.12
TPSA80.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-4H-imidazo[4,5-d][1,3]thiazole
CID 153383702
3-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-7-piperidin-4-yl-1,2,4-benzotriazine
CID 142492391
6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoro-2-piperidin-4-yl-[1,2,4]triazolo[1,5-a]pyridine;2-methylpropane
CID 170593728
7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-pyrrolidin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 165126331
[7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1,8-naphthyridin-3-yl]-methyl-(pyrrolidin-3-ylmethylidene)azanium
CID 170011836
6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-piperidin-4-yl-1,3-benzothiazole;hydrochloride
CID 153383064
6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2H-phthalazin-1-one;ethane;piperidine
CID 156889311
4-chloro-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-6-(5-methyl-4,7-diazaspiro[2.5]octan-7-yl)-1,8-naphthyridine
CID 168979041
6-(8-fluoro-2-pyrrolidin-3-ylimidazo[1,2-a]pyridin-6-yl)-2,8-dimethylimidazo[1,2-b]pyridazine
CID 170593872
N-(6-methoxynaphthalen-2-yl)piperidin-4-amine
CID 115118397
6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-N-piperidin-4-ylquinolin-3-amine
CID 167367193
6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-N-piperidin-4-yl-1,5-naphthyridin-3-amine
CID 167366791

Frequently Asked Questions

What is the IUPAC name of 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-N-piperidin-4-yl-1,8-naphthyridin-3-amine?
The IUPAC name of 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-N-piperidin-4-yl-1,8-naphthyridin-3-amine (CID 168978407) is 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-N-piperidin-4-yl-1,8-naphthyridin-3-amine.
What is the SMILES notation for 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-N-piperidin-4-yl-1,8-naphthyridin-3-amine?
The canonical SMILES for 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-N-piperidin-4-yl-1,8-naphthyridin-3-amine is Cc1cn2nc(-c3ccc4cc(NC5CCNCC5)cnc4n3)cc(C)c2n1.
What is the InChIKey of 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-N-piperidin-4-yl-1,8-naphthyridin-3-amine?
The InChIKey is REHDAWFDASFIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7/c1-13-9-19(27-28-12-14(2)24-21(13)28)18-4-3-15-10-17(11-23-20(15)26-18)25-16-5-7-22-8-6-16/h3-4,9-12,16,22,25H,5-8H2,1-2H3.
What are the key properties of 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-N-piperidin-4-yl-1,8-naphthyridin-3-amine?
7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-N-piperidin-4-yl-1,8-naphthyridin-3-amine has a molecular weight of 373.46 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-N-piperidin-4-yl-1,8-naphthyridin-3-amine is sourced from PubChem (CID 168978407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).