2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]propan-2-ol

C17H21FN4O — CID 67452632

IUPAC2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]propan-2-ol
SMILESCC(C)(O)c1ccc(NCC2(c3ncccc3F)CCC2)nn1
InChIInChI=1S/C17H21FN4O/c1-16(2,23)13-6-7-14(22-21-13)20-11-17(8-4-9-17)15-12(18)5-3-10-19-15/h3,5-7,10,23H,4,8-9,11H2,1-2H3,(H,20,22)
InChIKeyDCDSAWIIPKIQRS-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.77
Rot. Bonds5

About 2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]propan-2-ol

2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]propan-2-ol (PubChem CID 67452632) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is 2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]propan-2-ol
PubChem CID67452632
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC Name2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]propan-2-ol
SMILESCC(C)(O)c1ccc(NCC2(c3ncccc3F)CCC2)nn1
InChIInChI=1S/C17H21FN4O/c1-16(2,23)13-6-7-14(22-21-13)20-11-17(8-4-9-17)15-12(18)5-3-10-19-15/h3,5-7,10,23H,4,8-9,11H2,1-2H3,(H,20,22)
InChIKeyDCDSAWIIPKIQRS-UHFFFAOYSA-N
XLogP2.77
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]propan-2-ol?
The IUPAC name of 2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]propan-2-ol (CID 67452632) is 2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]propan-2-ol.
What is the SMILES notation for 2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]propan-2-ol?
The canonical SMILES for 2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]propan-2-ol is CC(C)(O)c1ccc(NCC2(c3ncccc3F)CCC2)nn1.
What is the InChIKey of 2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]propan-2-ol?
The InChIKey is DCDSAWIIPKIQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O/c1-16(2,23)13-6-7-14(22-21-13)20-11-17(8-4-9-17)15-12(18)5-3-10-19-15/h3,5-7,10,23H,4,8-9,11H2,1-2H3,(H,20,22).
What are the key properties of 2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]propan-2-ol?
2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]propan-2-ol has a molecular weight of 316.38 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]propan-2-ol is sourced from PubChem (CID 67452632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).