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

C23H24N6 — CID 71526079

IUPAC6-(2-methylphenyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine
SMILESCc1ccccc1-c1cc(Nc2cccc(N3CCCC3C)n2)c2nccn2n1
InChIInChI=1S/C23H24N6/c1-16-7-3-4-9-18(16)19-15-20(23-24-12-14-29(23)27-19)25-21-10-5-11-22(26-21)28-13-6-8-17(28)2/h3-5,7,9-12,14-15,17H,6,8,13H2,1-2H3,(H,25,26)
InChIKeyYFEFNYUTVVEZTC-UHFFFAOYSA-N
MW384.49 g/mol
LogP4.83
Rot. Bonds4

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

6-(2-methylphenyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine (PubChem CID 71526079) has the molecular formula C23H24N6 and a molecular weight of 384.49 g/mol. Its IUPAC name is 6-(2-methylphenyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine.

Molecular Properties

Compound Name6-(2-methylphenyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine
PubChem CID71526079
Molecular FormulaC23H24N6
Molecular Weight384.49 g/mol
Exact Mass384.21
IUPAC Name6-(2-methylphenyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine
SMILESCc1ccccc1-c1cc(Nc2cccc(N3CCCC3C)n2)c2nccn2n1
InChIInChI=1S/C23H24N6/c1-16-7-3-4-9-18(16)19-15-20(23-24-12-14-29(23)27-19)25-21-10-5-11-22(26-21)28-13-6-8-17(28)2/h3-5,7,9-12,14-15,17H,6,8,13H2,1-2H3,(H,25,26)
InChIKeyYFEFNYUTVVEZTC-UHFFFAOYSA-N
XLogP4.83
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.49
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylphenyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine?
The IUPAC name of 6-(2-methylphenyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine (CID 71526079) is 6-(2-methylphenyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine.
What is the SMILES notation for 6-(2-methylphenyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine?
The canonical SMILES for 6-(2-methylphenyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine is Cc1ccccc1-c1cc(Nc2cccc(N3CCCC3C)n2)c2nccn2n1.
What is the InChIKey of 6-(2-methylphenyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine?
The InChIKey is YFEFNYUTVVEZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6/c1-16-7-3-4-9-18(16)19-15-20(23-24-12-14-29(23)27-19)25-21-10-5-11-22(26-21)28-13-6-8-17(28)2/h3-5,7,9-12,14-15,17H,6,8,13H2,1-2H3,(H,25,26).
What are the key properties of 6-(2-methylphenyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine?
6-(2-methylphenyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine has a molecular weight of 384.49 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylphenyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine is sourced from PubChem (CID 71526079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).