N-[4-[2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]butanamide

C21H18FN5O — CID 59759596

IUPACN-[4-[2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]butanamide
SMILESCCCC(=O)Nc1cc(-c2c(-c3ccc(F)cc3)nc3cccnn23)ccn1
InChIInChI=1S/C21H18FN5O/c1-2-4-19(28)25-17-13-15(10-12-23-17)21-20(14-6-8-16(22)9-7-14)26-18-5-3-11-24-27(18)21/h3,5-13H,2,4H2,1H3,(H,23,25,28)
InChIKeyFIZSGYXSIPODOR-UHFFFAOYSA-N
MW375.41 g/mol
LogP4.34
Rot. Bonds5

About N-[4-[2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]butanamide

N-[4-[2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]butanamide (PubChem CID 59759596) has the molecular formula C21H18FN5O and a molecular weight of 375.41 g/mol. Its IUPAC name is N-[4-[2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]butanamide.

Molecular Properties

Compound NameN-[4-[2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]butanamide
PubChem CID59759596
Molecular FormulaC21H18FN5O
Molecular Weight375.41 g/mol
Exact Mass375.15
IUPAC NameN-[4-[2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]butanamide
SMILESCCCC(=O)Nc1cc(-c2c(-c3ccc(F)cc3)nc3cccnn23)ccn1
InChIInChI=1S/C21H18FN5O/c1-2-4-19(28)25-17-13-15(10-12-23-17)21-20(14-6-8-16(22)9-7-14)26-18-5-3-11-24-27(18)21/h3,5-13H,2,4H2,1H3,(H,23,25,28)
InChIKeyFIZSGYXSIPODOR-UHFFFAOYSA-N
XLogP4.34
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]butanamide?
The IUPAC name of N-[4-[2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]butanamide (CID 59759596) is N-[4-[2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]butanamide.
What is the SMILES notation for N-[4-[2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]butanamide?
The canonical SMILES for N-[4-[2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]butanamide is CCCC(=O)Nc1cc(-c2c(-c3ccc(F)cc3)nc3cccnn23)ccn1.
What is the InChIKey of N-[4-[2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]butanamide?
The InChIKey is FIZSGYXSIPODOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O/c1-2-4-19(28)25-17-13-15(10-12-23-17)21-20(14-6-8-16(22)9-7-14)26-18-5-3-11-24-27(18)21/h3,5-13H,2,4H2,1H3,(H,23,25,28).
What are the key properties of N-[4-[2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]butanamide?
N-[4-[2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]butanamide has a molecular weight of 375.41 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]butanamide is sourced from PubChem (CID 59759596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).