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

C23H24N6O — CID 71525986

IUPAC6-(3-methoxyphenyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine
SMILESCOc1cccc(-c2cc(Nc3cccc(N4CCCC4C)n3)c3nccn3n2)c1
InChIInChI=1S/C23H24N6O/c1-16-6-5-12-28(16)22-10-4-9-21(26-22)25-20-15-19(27-29-13-11-24-23(20)29)17-7-3-8-18(14-17)30-2/h3-4,7-11,13-16H,5-6,12H2,1-2H3,(H,25,26)
InChIKeyIEOIZVJETAOPMC-UHFFFAOYSA-N
MW400.49 g/mol
LogP4.53
Rot. Bonds5

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

6-(3-methoxyphenyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine (PubChem CID 71525986) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine.

Molecular Properties

Compound Name6-(3-methoxyphenyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine
PubChem CID71525986
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Name6-(3-methoxyphenyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine
SMILESCOc1cccc(-c2cc(Nc3cccc(N4CCCC4C)n3)c3nccn3n2)c1
InChIInChI=1S/C23H24N6O/c1-16-6-5-12-28(16)22-10-4-9-21(26-22)25-20-15-19(27-29-13-11-24-23(20)29)17-7-3-8-18(14-17)30-2/h3-4,7-11,13-16H,5-6,12H2,1-2H3,(H,25,26)
InChIKeyIEOIZVJETAOPMC-UHFFFAOYSA-N
XLogP4.53
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine?
The IUPAC name of 6-(3-methoxyphenyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine (CID 71525986) is 6-(3-methoxyphenyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine.
What is the SMILES notation for 6-(3-methoxyphenyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine?
The canonical SMILES for 6-(3-methoxyphenyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine is COc1cccc(-c2cc(Nc3cccc(N4CCCC4C)n3)c3nccn3n2)c1.
What is the InChIKey of 6-(3-methoxyphenyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine?
The InChIKey is IEOIZVJETAOPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c1-16-6-5-12-28(16)22-10-4-9-21(26-22)25-20-15-19(27-29-13-11-24-23(20)29)17-7-3-8-18(14-17)30-2/h3-4,7-11,13-16H,5-6,12H2,1-2H3,(H,25,26).
What are the key properties of 6-(3-methoxyphenyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine?
6-(3-methoxyphenyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine has a molecular weight of 400.49 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine is sourced from PubChem (CID 71525986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).