6-(3,4-dimethoxyphenyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine

C24H26N6O2 — CID 71526264

IUPAC6-(3,4-dimethoxyphenyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine
SMILESCOc1ccc(-c2cc(Nc3cccc(N4CCCC4C)n3)c3nccn3n2)cc1OC
InChIInChI=1S/C24H26N6O2/c1-16-6-5-12-29(16)23-8-4-7-22(27-23)26-19-15-18(28-30-13-11-25-24(19)30)17-9-10-20(31-2)21(14-17)32-3/h4,7-11,13-16H,5-6,12H2,1-3H3,(H,26,27)
InChIKeyDORQFBODTNICON-UHFFFAOYSA-N
MW430.51 g/mol
LogP4.54
Rot. Bonds6

About 6-(3,4-dimethoxyphenyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine

6-(3,4-dimethoxyphenyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine (PubChem CID 71526264) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine
PubChem CID71526264
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC Name6-(3,4-dimethoxyphenyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine
SMILESCOc1ccc(-c2cc(Nc3cccc(N4CCCC4C)n3)c3nccn3n2)cc1OC
InChIInChI=1S/C24H26N6O2/c1-16-6-5-12-29(16)23-8-4-7-22(27-23)26-19-15-18(28-30-13-11-25-24(19)30)17-9-10-20(31-2)21(14-17)32-3/h4,7-11,13-16H,5-6,12H2,1-3H3,(H,26,27)
InChIKeyDORQFBODTNICON-UHFFFAOYSA-N
XLogP4.54
TPSA76.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyphenyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine (CID 71526264) is 6-(3,4-dimethoxyphenyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine is COc1ccc(-c2cc(Nc3cccc(N4CCCC4C)n3)c3nccn3n2)cc1OC.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine?
The InChIKey is DORQFBODTNICON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-16-6-5-12-29(16)23-8-4-7-22(27-23)26-19-15-18(28-30-13-11-25-24(19)30)17-9-10-20(31-2)21(14-17)32-3/h4,7-11,13-16H,5-6,12H2,1-3H3,(H,26,27).
What are the key properties of 6-(3,4-dimethoxyphenyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine?
6-(3,4-dimethoxyphenyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine has a molecular weight of 430.51 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine is sourced from PubChem (CID 71526264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).