2-[[3-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol

C16H19N5O2 — CID 58857575

IUPAC2-[[3-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol
SMILESCCC(CO)Nc1ccc2ncc(-c3cncc(OC)c3)n2n1
InChIInChI=1S/C16H19N5O2/c1-3-12(10-22)19-15-4-5-16-18-9-14(21(16)20-15)11-6-13(23-2)8-17-7-11/h4-9,12,22H,3,10H2,1-2H3,(H,19,20)
InChIKeyBNBONFYJAHHPBZ-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.98
Rot. Bonds6

About 2-[[3-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol

2-[[3-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol (PubChem CID 58857575) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-[[3-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol.

Molecular Properties

Compound Name2-[[3-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol
PubChem CID58857575
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name2-[[3-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol
SMILESCCC(CO)Nc1ccc2ncc(-c3cncc(OC)c3)n2n1
InChIInChI=1S/C16H19N5O2/c1-3-12(10-22)19-15-4-5-16-18-9-14(21(16)20-15)11-6-13(23-2)8-17-7-11/h4-9,12,22H,3,10H2,1-2H3,(H,19,20)
InChIKeyBNBONFYJAHHPBZ-UHFFFAOYSA-N
XLogP1.98
TPSA84.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol?
The IUPAC name of 2-[[3-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol (CID 58857575) is 2-[[3-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol.
What is the SMILES notation for 2-[[3-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol?
The canonical SMILES for 2-[[3-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol is CCC(CO)Nc1ccc2ncc(-c3cncc(OC)c3)n2n1.
What is the InChIKey of 2-[[3-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol?
The InChIKey is BNBONFYJAHHPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-3-12(10-22)19-15-4-5-16-18-9-14(21(16)20-15)11-6-13(23-2)8-17-7-11/h4-9,12,22H,3,10H2,1-2H3,(H,19,20).
What are the key properties of 2-[[3-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol?
2-[[3-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol has a molecular weight of 313.36 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol is sourced from PubChem (CID 58857575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).