N-[6-[6-(1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-azaspiro[3.3]heptan-6-amine

C20H20N8 — CID 164537012

IUPACN-[6-[6-(1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-azaspiro[3.3]heptan-6-amine
SMILESc1cc(NC2CC3(CNC3)C2)nc(-c2cnc3ccc(-c4cn[nH]c4)nn23)c1
InChIInChI=1S/C20H20N8/c1-2-16(26-18(3-1)25-14-6-20(7-14)11-21-12-20)17-10-22-19-5-4-15(27-28(17)19)13-8-23-24-9-13/h1-5,8-10,14,21H,6-7,11-12H2,(H,23,24)(H,25,26)
InChIKeyICUMGDQDAHNCKT-UHFFFAOYSA-N
MW372.44 g/mol
LogP2.35
Rot. Bonds4

About N-[6-[6-(1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-azaspiro[3.3]heptan-6-amine

N-[6-[6-(1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-azaspiro[3.3]heptan-6-amine (PubChem CID 164537012) has the molecular formula C20H20N8 and a molecular weight of 372.44 g/mol. Its IUPAC name is N-[6-[6-(1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-azaspiro[3.3]heptan-6-amine.

Molecular Properties

Compound NameN-[6-[6-(1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-azaspiro[3.3]heptan-6-amine
PubChem CID164537012
Molecular FormulaC20H20N8
Molecular Weight372.44 g/mol
Exact Mass372.18
IUPAC NameN-[6-[6-(1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-azaspiro[3.3]heptan-6-amine
SMILESc1cc(NC2CC3(CNC3)C2)nc(-c2cnc3ccc(-c4cn[nH]c4)nn23)c1
InChIInChI=1S/C20H20N8/c1-2-16(26-18(3-1)25-14-6-20(7-14)11-21-12-20)17-10-22-19-5-4-15(27-28(17)19)13-8-23-24-9-13/h1-5,8-10,14,21H,6-7,11-12H2,(H,23,24)(H,25,26)
InChIKeyICUMGDQDAHNCKT-UHFFFAOYSA-N
XLogP2.35
TPSA95.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-[6-(1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-azaspiro[3.3]heptan-6-amine?
The IUPAC name of 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) is N-[6-[6-(1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-azaspiro[3.3]heptan-6-amine.
What is the SMILES notation for N-[6-[6-(1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-azaspiro[3.3]heptan-6-amine?
The canonical SMILES for N-[6-[6-(1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-azaspiro[3.3]heptan-6-amine is c1cc(NC2CC3(CNC3)C2)nc(-c2cnc3ccc(-c4cn[nH]c4)nn23)c1.
What is the InChIKey of N-[6-[6-(1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-azaspiro[3.3]heptan-6-amine?
The InChIKey is ICUMGDQDAHNCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N8/c1-2-16(26-18(3-1)25-14-6-20(7-14)11-21-12-20)17-10-22-19-5-4-15(27-28(17)19)13-8-23-24-9-13/h1-5,8-10,14,21H,6-7,11-12H2,(H,23,24)(H,25,26).
What are the key properties of N-[6-[6-(1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-azaspiro[3.3]heptan-6-amine?
N-[6-[6-(1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-azaspiro[3.3]heptan-6-amine has a molecular weight of 372.44 g/mol, XLogP of 2.35, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[6-(1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-azaspiro[3.3]heptan-6-amine is sourced from PubChem (CID 164537012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).