6-(5-methoxy-3-pyridinyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine

C22H23N7O — CID 71526616

IUPAC6-(5-methoxy-3-pyridinyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine
SMILESCOc1cncc(-c2cc(Nc3cccc(N4CCCC4C)n3)c3nccn3n2)c1
InChIInChI=1S/C22H23N7O/c1-15-5-4-9-28(15)21-7-3-6-20(26-21)25-19-12-18(27-29-10-8-24-22(19)29)16-11-17(30-2)14-23-13-16/h3,6-8,10-15H,4-5,9H2,1-2H3,(H,25,26)
InChIKeyQBQRHYIINOYUCE-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.93
Rot. Bonds5

About 6-(5-methoxy-3-pyridinyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine

6-(5-methoxy-3-pyridinyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine (PubChem CID 71526616) has the molecular formula C22H23N7O and a molecular weight of 401.47 g/mol. Its IUPAC name is 6-(5-methoxy-3-pyridinyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine.

Molecular Properties

Compound Name6-(5-methoxy-3-pyridinyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine
PubChem CID71526616
Molecular FormulaC22H23N7O
Molecular Weight401.47 g/mol
Exact Mass401.20
IUPAC Name6-(5-methoxy-3-pyridinyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine
SMILESCOc1cncc(-c2cc(Nc3cccc(N4CCCC4C)n3)c3nccn3n2)c1
InChIInChI=1S/C22H23N7O/c1-15-5-4-9-28(15)21-7-3-6-20(26-21)25-19-12-18(27-29-10-8-24-22(19)29)16-11-17(30-2)14-23-13-16/h3,6-8,10-15H,4-5,9H2,1-2H3,(H,25,26)
InChIKeyQBQRHYIINOYUCE-UHFFFAOYSA-N
XLogP3.93
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(5-methoxy-3-pyridinyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine?
The IUPAC name of 6-(5-methoxy-3-pyridinyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine (CID 71526616) is 6-(5-methoxy-3-pyridinyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine.
What is the SMILES notation for 6-(5-methoxy-3-pyridinyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine?
The canonical SMILES for 6-(5-methoxy-3-pyridinyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine is COc1cncc(-c2cc(Nc3cccc(N4CCCC4C)n3)c3nccn3n2)c1.
What is the InChIKey of 6-(5-methoxy-3-pyridinyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine?
The InChIKey is QBQRHYIINOYUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O/c1-15-5-4-9-28(15)21-7-3-6-20(26-21)25-19-12-18(27-29-10-8-24-22(19)29)16-11-17(30-2)14-23-13-16/h3,6-8,10-15H,4-5,9H2,1-2H3,(H,25,26).
What are the key properties of 6-(5-methoxy-3-pyridinyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine?
6-(5-methoxy-3-pyridinyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine has a molecular weight of 401.47 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methoxy-3-pyridinyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine is sourced from PubChem (CID 71526616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).