6-[3-[2-(diethylamino)ethoxy]phenyl]-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine

C28H35N7O — CID 71526701

IUPAC6-[3-[2-(diethylamino)ethoxy]phenyl]-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine
SMILESCCN(CC)CCOc1cccc(-c2cc(Nc3cccc(N4CCCC4C)n3)c3nccn3n2)c1
InChIInChI=1S/C28H35N7O/c1-4-33(5-2)17-18-36-23-11-6-10-22(19-23)24-20-25(28-29-14-16-35(28)32-24)30-26-12-7-13-27(31-26)34-15-8-9-21(34)3/h6-7,10-14,16,19-21H,4-5,8-9,15,17-18H2,1-3H3,(H,30,31)
InChIKeyVERHPXBNZRILLA-UHFFFAOYSA-N
MW485.64 g/mol
LogP5.24
Rot. Bonds10

About 6-[3-[2-(diethylamino)ethoxy]phenyl]-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine

6-[3-[2-(diethylamino)ethoxy]phenyl]-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine (PubChem CID 71526701) has the molecular formula C28H35N7O and a molecular weight of 485.64 g/mol. Its IUPAC name is 6-[3-[2-(diethylamino)ethoxy]phenyl]-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine.

Molecular Properties

Compound Name6-[3-[2-(diethylamino)ethoxy]phenyl]-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine
PubChem CID71526701
Molecular FormulaC28H35N7O
Molecular Weight485.64 g/mol
Exact Mass485.29
IUPAC Name6-[3-[2-(diethylamino)ethoxy]phenyl]-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine
SMILESCCN(CC)CCOc1cccc(-c2cc(Nc3cccc(N4CCCC4C)n3)c3nccn3n2)c1
InChIInChI=1S/C28H35N7O/c1-4-33(5-2)17-18-36-23-11-6-10-22(19-23)24-20-25(28-29-14-16-35(28)32-24)30-26-12-7-13-27(31-26)34-15-8-9-21(34)3/h6-7,10-14,16,19-21H,4-5,8-9,15,17-18H2,1-3H3,(H,30,31)
InChIKeyVERHPXBNZRILLA-UHFFFAOYSA-N
XLogP5.24
TPSA70.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.64
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[2-(diethylamino)ethoxy]phenyl]-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine?
The IUPAC name of 6-[3-[2-(diethylamino)ethoxy]phenyl]-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine (CID 71526701) is 6-[3-[2-(diethylamino)ethoxy]phenyl]-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine.
What is the SMILES notation for 6-[3-[2-(diethylamino)ethoxy]phenyl]-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine?
The canonical SMILES for 6-[3-[2-(diethylamino)ethoxy]phenyl]-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine is CCN(CC)CCOc1cccc(-c2cc(Nc3cccc(N4CCCC4C)n3)c3nccn3n2)c1.
What is the InChIKey of 6-[3-[2-(diethylamino)ethoxy]phenyl]-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine?
The InChIKey is VERHPXBNZRILLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N7O/c1-4-33(5-2)17-18-36-23-11-6-10-22(19-23)24-20-25(28-29-14-16-35(28)32-24)30-26-12-7-13-27(31-26)34-15-8-9-21(34)3/h6-7,10-14,16,19-21H,4-5,8-9,15,17-18H2,1-3H3,(H,30,31).
What are the key properties of 6-[3-[2-(diethylamino)ethoxy]phenyl]-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine?
6-[3-[2-(diethylamino)ethoxy]phenyl]-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine has a molecular weight of 485.64 g/mol, XLogP of 5.24, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[2-(diethylamino)ethoxy]phenyl]-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine is sourced from PubChem (CID 71526701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).