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

C20H15N3O3 — CID 135316044

IUPAC[3-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol
SMILESOCc1cccc(-c2ccc3ncc(-c4ccc5c(c4)OCO5)n3n2)c1
InChIInChI=1S/C20H15N3O3/c24-11-13-2-1-3-14(8-13)16-5-7-20-21-10-17(23(20)22-16)15-4-6-18-19(9-15)26-12-25-18/h1-10,24H,11-12H2
InChIKeyIPHZTERACGNLLL-UHFFFAOYSA-N
MW345.36 g/mol
LogP3.28
Rot. Bonds3

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

[3-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol (PubChem CID 135316044) has the molecular formula C20H15N3O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is [3-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol
PubChem CID135316044
Molecular FormulaC20H15N3O3
Molecular Weight345.36 g/mol
Exact Mass345.11
IUPAC Name[3-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol
SMILESOCc1cccc(-c2ccc3ncc(-c4ccc5c(c4)OCO5)n3n2)c1
InChIInChI=1S/C20H15N3O3/c24-11-13-2-1-3-14(8-13)16-5-7-20-21-10-17(23(20)22-16)15-4-6-18-19(9-15)26-12-25-18/h1-10,24H,11-12H2
InChIKeyIPHZTERACGNLLL-UHFFFAOYSA-N
XLogP3.28
TPSA68.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol?
The IUPAC name of [3-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol (CID 135316044) is [3-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol.
What is the SMILES notation for [3-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol?
The canonical SMILES for [3-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol is OCc1cccc(-c2ccc3ncc(-c4ccc5c(c4)OCO5)n3n2)c1.
What is the InChIKey of [3-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol?
The InChIKey is IPHZTERACGNLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3/c24-11-13-2-1-3-14(8-13)16-5-7-20-21-10-17(23(20)22-16)15-4-6-18-19(9-15)26-12-25-18/h1-10,24H,11-12H2.
What are the key properties of [3-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol?
[3-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol has a molecular weight of 345.36 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol is sourced from PubChem (CID 135316044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).