N-[3-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]acetamide

C21H16N4O3 — CID 126672944

IUPACN-[3-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2ccc3ncc(-c4ccc5c(c4)OCO5)n3n2)c1
InChIInChI=1S/C21H16N4O3/c1-13(26)23-16-4-2-3-14(9-16)17-6-8-21-22-11-18(25(21)24-17)15-5-7-19-20(10-15)28-12-27-19/h2-11H,12H2,1H3,(H,23,26)
InChIKeyDCIKLWBLWCKZCN-UHFFFAOYSA-N
MW372.38 g/mol
LogP3.75
Rot. Bonds3

About N-[3-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]acetamide

N-[3-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]acetamide (PubChem CID 126672944) has the molecular formula C21H16N4O3 and a molecular weight of 372.38 g/mol. Its IUPAC name is N-[3-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]acetamide
PubChem CID126672944
Molecular FormulaC21H16N4O3
Molecular Weight372.38 g/mol
Exact Mass372.12
IUPAC NameN-[3-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2ccc3ncc(-c4ccc5c(c4)OCO5)n3n2)c1
InChIInChI=1S/C21H16N4O3/c1-13(26)23-16-4-2-3-14(9-16)17-6-8-21-22-11-18(25(21)24-17)15-5-7-19-20(10-15)28-12-27-19/h2-11H,12H2,1H3,(H,23,26)
InChIKeyDCIKLWBLWCKZCN-UHFFFAOYSA-N
XLogP3.75
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]acetamide?
The IUPAC name of N-[3-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]acetamide (CID 126672944) is N-[3-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2ccc3ncc(-c4ccc5c(c4)OCO5)n3n2)c1.
What is the InChIKey of N-[3-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]acetamide?
The InChIKey is DCIKLWBLWCKZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O3/c1-13(26)23-16-4-2-3-14(9-16)17-6-8-21-22-11-18(25(21)24-17)15-5-7-19-20(10-15)28-12-27-19/h2-11H,12H2,1H3,(H,23,26).
What are the key properties of N-[3-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]acetamide?
N-[3-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]acetamide has a molecular weight of 372.38 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]acetamide is sourced from PubChem (CID 126672944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).