ethane;N-[6-(6-pyrazolo[1,5-a]pyridin-3-ylimidazo[1,2-b]pyridazin-3-yl)-2-pyridinyl]-2-azaspiro[3.3]heptan-6-amine

C26H28N8 — CID 164537166

IUPACethane;N-[6-(6-pyrazolo[1,5-a]pyridin-3-ylimidazo[1,2-b]pyridazin-3-yl)-2-pyridinyl]-2-azaspiro[3.3]heptan-6-amine
SMILESCC.c1cc(NC2CC3(CNC3)C2)nc(-c2cnc3ccc(-c4cnn5ccccc45)nn23)c1
InChIInChI=1S/C24H22N8.C2H6/c1-2-9-31-20(5-1)17(12-27-31)18-7-8-23-26-13-21(32(23)30-18)19-4-3-6-22(29-19)28-16-10-24(11-16)14-25-15-24;1-2/h1-9,12-13,16,25H,10-11,14-15H2,(H,28,29);1-2H3
InChIKeyJTKFJHGSYDEUJL-UHFFFAOYSA-N
MW452.57 g/mol
LogP4.30
Rot. Bonds4

About ethane;N-[6-(6-pyrazolo[1,5-a]pyridin-3-ylimidazo[1,2-b]pyridazin-3-yl)-2-pyridinyl]-2-azaspiro[3.3]heptan-6-amine

ethane;N-[6-(6-pyrazolo[1,5-a]pyridin-3-ylimidazo[1,2-b]pyridazin-3-yl)-2-pyridinyl]-2-azaspiro[3.3]heptan-6-amine (PubChem CID 164537166) has the molecular formula C26H28N8 and a molecular weight of 452.57 g/mol. Its IUPAC name is ethane;N-[6-(6-pyrazolo[1,5-a]pyridin-3-ylimidazo[1,2-b]pyridazin-3-yl)-2-pyridinyl]-2-azaspiro[3.3]heptan-6-amine.

Molecular Properties

Compound Nameethane;N-[6-(6-pyrazolo[1,5-a]pyridin-3-ylimidazo[1,2-b]pyridazin-3-yl)-2-pyridinyl]-2-azaspiro[3.3]heptan-6-amine
PubChem CID164537166
Molecular FormulaC26H28N8
Molecular Weight452.57 g/mol
Exact Mass452.24
IUPAC Nameethane;N-[6-(6-pyrazolo[1,5-a]pyridin-3-ylimidazo[1,2-b]pyridazin-3-yl)-2-pyridinyl]-2-azaspiro[3.3]heptan-6-amine
SMILESCC.c1cc(NC2CC3(CNC3)C2)nc(-c2cnc3ccc(-c4cnn5ccccc45)nn23)c1
InChIInChI=1S/C24H22N8.C2H6/c1-2-9-31-20(5-1)17(12-27-31)18-7-8-23-26-13-21(32(23)30-18)19-4-3-6-22(29-19)28-16-10-24(11-16)14-25-15-24;1-2/h1-9,12-13,16,25H,10-11,14-15H2,(H,28,29);1-2H3
InChIKeyJTKFJHGSYDEUJL-UHFFFAOYSA-N
XLogP4.30
TPSA84.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.57
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethane;N-[6-(6-pyrazolo[1,5-a]pyridin-3-ylimidazo[1,2-b]pyridazin-3-yl)-2-pyridinyl]-2-azaspiro[3.3]heptan-6-amine with MolForge

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Related Compounds

N-[6-[6-(1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-azaspiro[3.3]heptan-6-amine
CID 164537012
ethane;N-[6-[6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-2-azaspiro[3.3]heptan-6-amine
CID 169129462
N-[6-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-2-azaspiro[3.3]heptan-6-amine
CID 166961601
N-(4,4-difluoropyrrolidin-3-yl)-6-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine
CID 164537119
ethane;N-methyl-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-amine
CID 164537015
6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-N-pyrrolidin-3-ylpyridin-2-amine;ethane
CID 164537226
N-cyclohexyl-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-amine;ethane
CID 164537186
2-[3-[6-(6-azaspiro[3.4]octan-2-ylamino)-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol
CID 166961661
N-(6-pyrazolo[1,5-a]pyridin-3-yl-2-pyridinyl)cyclopropanecarboxamide
CID 67373199
N,N-dimethyl-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-amine
CID 164537108
6-[6-[1-(azetidin-3-yl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-N-piperidin-4-ylpyridin-2-amine
CID 167122401
N-(2,2-difluorocyclopentyl)-6-(7-methoxy-6-pyrazolo[1,5-a]pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine
CID 170240883

Frequently Asked Questions

What is the IUPAC name of ethane;N-[6-(6-pyrazolo[1,5-a]pyridin-3-ylimidazo[1,2-b]pyridazin-3-yl)-2-pyridinyl]-2-azaspiro[3.3]heptan-6-amine?
The IUPAC name of ethane;N-[6-(6-pyrazolo[1,5-a]pyridin-3-ylimidazo[1,2-b]pyridazin-3-yl)-2-pyridinyl]-2-azaspiro[3.3]heptan-6-amine (CID 164537166) is ethane;N-[6-(6-pyrazolo[1,5-a]pyridin-3-ylimidazo[1,2-b]pyridazin-3-yl)-2-pyridinyl]-2-azaspiro[3.3]heptan-6-amine.
What is the SMILES notation for ethane;N-[6-(6-pyrazolo[1,5-a]pyridin-3-ylimidazo[1,2-b]pyridazin-3-yl)-2-pyridinyl]-2-azaspiro[3.3]heptan-6-amine?
The canonical SMILES for ethane;N-[6-(6-pyrazolo[1,5-a]pyridin-3-ylimidazo[1,2-b]pyridazin-3-yl)-2-pyridinyl]-2-azaspiro[3.3]heptan-6-amine is CC.c1cc(NC2CC3(CNC3)C2)nc(-c2cnc3ccc(-c4cnn5ccccc45)nn23)c1.
What is the InChIKey of ethane;N-[6-(6-pyrazolo[1,5-a]pyridin-3-ylimidazo[1,2-b]pyridazin-3-yl)-2-pyridinyl]-2-azaspiro[3.3]heptan-6-amine?
The InChIKey is JTKFJHGSYDEUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N8.C2H6/c1-2-9-31-20(5-1)17(12-27-31)18-7-8-23-26-13-21(32(23)30-18)19-4-3-6-22(29-19)28-16-10-24(11-16)14-25-15-24;1-2/h1-9,12-13,16,25H,10-11,14-15H2,(H,28,29);1-2H3.
What are the key properties of ethane;N-[6-(6-pyrazolo[1,5-a]pyridin-3-ylimidazo[1,2-b]pyridazin-3-yl)-2-pyridinyl]-2-azaspiro[3.3]heptan-6-amine?
ethane;N-[6-(6-pyrazolo[1,5-a]pyridin-3-ylimidazo[1,2-b]pyridazin-3-yl)-2-pyridinyl]-2-azaspiro[3.3]heptan-6-amine has a molecular weight of 452.57 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[6-(6-pyrazolo[1,5-a]pyridin-3-ylimidazo[1,2-b]pyridazin-3-yl)-2-pyridinyl]-2-azaspiro[3.3]heptan-6-amine is sourced from PubChem (CID 164537166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).