3-(1,3-dimethylindazol-5-yl)-6-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-b]pyridazine

C21H25N7 — CID 59519539

IUPAC3-(1,3-dimethylindazol-5-yl)-6-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-b]pyridazine
SMILESCc1nn(C)c2ccc(-c3cnc4ccc(N5CCCN(C)CC5)nn34)cc12
InChIInChI=1S/C21H25N7/c1-15-17-13-16(5-6-18(17)26(3)23-15)19-14-22-20-7-8-21(24-28(19)20)27-10-4-9-25(2)11-12-27/h5-8,13-14H,4,9-12H2,1-3H3
InChIKeyZDIURKCSOQXLQJ-UHFFFAOYSA-N
MW375.48 g/mol
LogP2.73
Rot. Bonds2

About 3-(1,3-dimethylindazol-5-yl)-6-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-b]pyridazine

3-(1,3-dimethylindazol-5-yl)-6-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-b]pyridazine (PubChem CID 59519539) has the molecular formula C21H25N7 and a molecular weight of 375.48 g/mol. Its IUPAC name is 3-(1,3-dimethylindazol-5-yl)-6-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-(1,3-dimethylindazol-5-yl)-6-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-b]pyridazine
PubChem CID59519539
Molecular FormulaC21H25N7
Molecular Weight375.48 g/mol
Exact Mass375.22
IUPAC Name3-(1,3-dimethylindazol-5-yl)-6-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-b]pyridazine
SMILESCc1nn(C)c2ccc(-c3cnc4ccc(N5CCCN(C)CC5)nn34)cc12
InChIInChI=1S/C21H25N7/c1-15-17-13-16(5-6-18(17)26(3)23-15)19-14-22-20-7-8-21(24-28(19)20)27-10-4-9-25(2)11-12-27/h5-8,13-14H,4,9-12H2,1-3H3
InChIKeyZDIURKCSOQXLQJ-UHFFFAOYSA-N
XLogP2.73
TPSA54.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(1,3-dimethylindazol-5-yl)-6-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-b]pyridazine with MolForge

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Related Compounds

tert-butyl 3-methyl-5-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-diazepan-1-yl]imidazo[1,2-b]pyridazin-3-yl]indazole-1-carboxylate
CID 68648101
6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]imidazo[1,2-b]pyridazine
CID 58335544
ethane;4-[3-(3-ethyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]morpholine
CID 176959586
N-methyl-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-3-amine
CID 146669273
6-ethenyl-3-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazine
CID 89494136
2,2-dimethyl-1-[4-(3-phenylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]propan-1-one
CID 86696459
3-bromo-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]imidazo[1,2-b]pyridazine
CID 169237106
3-ethyl-2-methyl-6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazine
CID 91493052
6-(4-methyl-1,4-diazepan-1-yl)pyridine-3-carbothioamide
CID 28775051
3-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]imidazo[1,2-b]pyridazine-6-carbaldehyde
CID 89494216
1-(5-bromo-2-pyridinyl)-4-methyl-1,4-diazepane
CID 59292213
tert-butyl 4-[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]piperazine-1-carboxylate
CID 58857766

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dimethylindazol-5-yl)-6-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-b]pyridazine?
The IUPAC name of 3-(1,3-dimethylindazol-5-yl)-6-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-b]pyridazine (CID 59519539) is 3-(1,3-dimethylindazol-5-yl)-6-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-(1,3-dimethylindazol-5-yl)-6-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 3-(1,3-dimethylindazol-5-yl)-6-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-b]pyridazine is Cc1nn(C)c2ccc(-c3cnc4ccc(N5CCCN(C)CC5)nn34)cc12.
What is the InChIKey of 3-(1,3-dimethylindazol-5-yl)-6-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-b]pyridazine?
The InChIKey is ZDIURKCSOQXLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7/c1-15-17-13-16(5-6-18(17)26(3)23-15)19-14-22-20-7-8-21(24-28(19)20)27-10-4-9-25(2)11-12-27/h5-8,13-14H,4,9-12H2,1-3H3.
What are the key properties of 3-(1,3-dimethylindazol-5-yl)-6-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-b]pyridazine?
3-(1,3-dimethylindazol-5-yl)-6-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-b]pyridazine has a molecular weight of 375.48 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dimethylindazol-5-yl)-6-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 59519539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).