2,3-dimethyl-6-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]imidazo[1,2-b]pyridazine

C19H23N5 — CID 72706863

IUPAC2,3-dimethyl-6-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]imidazo[1,2-b]pyridazine
SMILESCc1nc2ccc(CCc3cccc(N4CCCC4)n3)nn2c1C
InChIInChI=1S/C19H23N5/c1-14-15(2)24-19(20-14)11-10-17(22-24)9-8-16-6-5-7-18(21-16)23-12-3-4-13-23/h5-7,10-11H,3-4,8-9,12-13H2,1-2H3
InChIKeyMIZUGACXAMIZFU-UHFFFAOYSA-N
MW321.43 g/mol
LogP3.13
Rot. Bonds4

About 2,3-dimethyl-6-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]imidazo[1,2-b]pyridazine

2,3-dimethyl-6-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]imidazo[1,2-b]pyridazine (PubChem CID 72706863) has the molecular formula C19H23N5 and a molecular weight of 321.43 g/mol. Its IUPAC name is 2,3-dimethyl-6-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2,3-dimethyl-6-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]imidazo[1,2-b]pyridazine
PubChem CID72706863
Molecular FormulaC19H23N5
Molecular Weight321.43 g/mol
Exact Mass321.20
IUPAC Name2,3-dimethyl-6-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]imidazo[1,2-b]pyridazine
SMILESCc1nc2ccc(CCc3cccc(N4CCCC4)n3)nn2c1C
InChIInChI=1S/C19H23N5/c1-14-15(2)24-19(20-14)11-10-17(22-24)9-8-16-6-5-7-18(21-16)23-12-3-4-13-23/h5-7,10-11H,3-4,8-9,12-13H2,1-2H3
InChIKeyMIZUGACXAMIZFU-UHFFFAOYSA-N
XLogP3.13
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Adipiplon
CID 11198924
(R)-Zinc-3573
CID 95882507
3,8-Dimethyl-6-((1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl)ethynyl)-2-(trifluoro-methyl)imidazo[1,2-b]pyridazine
CID 75201366
5,8-Dimethyl-2-[2-(2-phenyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 90024886
6-[(2r)-2-(3-Fluorophenyl)pyrrolidin-1-Yl]-3-(Pyridin-2-Yl)imidazo[1,2-B]pyridazine
CID 122179546
5,8-Dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 44537944
N-{6-[(2s)-2-Methylpyrrolidin-1-Yl]pyridin-2-Yl}-6-Phenylimidazo[1,2-B]pyridazin-8-Amine
CID 71525988
2-methyl-3-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}quinoxaline
CID 72704532
2-[2-(2-Methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 72705476
3-Methyl-6-((1-methyl-5-(pyrrolidin-1-yl)-1H-1,2,4-triazol-3-yl)ethynyl)-2-(trifluoro-methyl)imidazo[1,2-b]pyridazine
CID 75201287
2-(Difluoromethyl)-3-methyl-6-((1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl)-ethynyl)imidazo[1,2-b]pyridazine
CID 75201303
US10399985, Example 30
CID 118278101

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]imidazo[1,2-b]pyridazine?
The IUPAC name of 2,3-dimethyl-6-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]imidazo[1,2-b]pyridazine (CID 72706863) is 2,3-dimethyl-6-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 2,3-dimethyl-6-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 2,3-dimethyl-6-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]imidazo[1,2-b]pyridazine is Cc1nc2ccc(CCc3cccc(N4CCCC4)n3)nn2c1C.
What is the InChIKey of 2,3-dimethyl-6-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]imidazo[1,2-b]pyridazine?
The InChIKey is MIZUGACXAMIZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5/c1-14-15(2)24-19(20-14)11-10-17(22-24)9-8-16-6-5-7-18(21-16)23-12-3-4-13-23/h5-7,10-11H,3-4,8-9,12-13H2,1-2H3.
What are the key properties of 2,3-dimethyl-6-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]imidazo[1,2-b]pyridazine?
2,3-dimethyl-6-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]imidazo[1,2-b]pyridazine has a molecular weight of 321.43 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 72706863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).