6-(3,3-dimethylazetidin-1-yl)-N-pyridin-2-ylimidazo[1,2-b]pyridazine-3-carboxamide

C17H18N6O — CID 135201828

IUPAC6-(3,3-dimethylazetidin-1-yl)-N-pyridin-2-ylimidazo[1,2-b]pyridazine-3-carboxamide
SMILESCC1(C)CN(c2ccc3ncc(C(=O)Nc4ccccn4)n3n2)C1
InChIInChI=1S/C17H18N6O/c1-17(2)10-22(11-17)15-7-6-14-19-9-12(23(14)21-15)16(24)20-13-5-3-4-8-18-13/h3-9H,10-11H2,1-2H3,(H,18,20,24)
InChIKeyKCJMNJRGQOVKPB-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.22
Rot. Bonds3

About 6-(3,3-dimethylazetidin-1-yl)-N-pyridin-2-ylimidazo[1,2-b]pyridazine-3-carboxamide

6-(3,3-dimethylazetidin-1-yl)-N-pyridin-2-ylimidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 135201828) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is 6-(3,3-dimethylazetidin-1-yl)-N-pyridin-2-ylimidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(3,3-dimethylazetidin-1-yl)-N-pyridin-2-ylimidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID135201828
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name6-(3,3-dimethylazetidin-1-yl)-N-pyridin-2-ylimidazo[1,2-b]pyridazine-3-carboxamide
SMILESCC1(C)CN(c2ccc3ncc(C(=O)Nc4ccccn4)n3n2)C1
InChIInChI=1S/C17H18N6O/c1-17(2)10-22(11-17)15-7-6-14-19-9-12(23(14)21-15)16(24)20-13-5-3-4-8-18-13/h3-9H,10-11H2,1-2H3,(H,18,20,24)
InChIKeyKCJMNJRGQOVKPB-UHFFFAOYSA-N
XLogP2.22
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3,3-dimethylazetidin-1-yl)-N-pyridin-2-ylimidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-(3,3-dimethylazetidin-1-yl)-N-pyridin-2-ylimidazo[1,2-b]pyridazine-3-carboxamide (CID 135201828) is 6-(3,3-dimethylazetidin-1-yl)-N-pyridin-2-ylimidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(3,3-dimethylazetidin-1-yl)-N-pyridin-2-ylimidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-(3,3-dimethylazetidin-1-yl)-N-pyridin-2-ylimidazo[1,2-b]pyridazine-3-carboxamide is CC1(C)CN(c2ccc3ncc(C(=O)Nc4ccccn4)n3n2)C1.
What is the InChIKey of 6-(3,3-dimethylazetidin-1-yl)-N-pyridin-2-ylimidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is KCJMNJRGQOVKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c1-17(2)10-22(11-17)15-7-6-14-19-9-12(23(14)21-15)16(24)20-13-5-3-4-8-18-13/h3-9H,10-11H2,1-2H3,(H,18,20,24).
What are the key properties of 6-(3,3-dimethylazetidin-1-yl)-N-pyridin-2-ylimidazo[1,2-b]pyridazine-3-carboxamide?
6-(3,3-dimethylazetidin-1-yl)-N-pyridin-2-ylimidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-dimethylazetidin-1-yl)-N-pyridin-2-ylimidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 135201828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).