[4-[6-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol

C20H17N3O2 — CID 126672930

IUPAC[4-[6-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol
SMILESCOc1ccccc1-c1ccc2ncc(-c3ccc(CO)cc3)n2n1
InChIInChI=1S/C20H17N3O2/c1-25-19-5-3-2-4-16(19)17-10-11-20-21-12-18(23(20)22-17)15-8-6-14(13-24)7-9-15/h2-12,24H,13H2,1H3
InChIKeyJTUHIDHHYWUGAB-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.56
Rot. Bonds4

About [4-[6-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol

[4-[6-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol (PubChem CID 126672930) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is [4-[6-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[6-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol
PubChem CID126672930
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name[4-[6-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol
SMILESCOc1ccccc1-c1ccc2ncc(-c3ccc(CO)cc3)n2n1
InChIInChI=1S/C20H17N3O2/c1-25-19-5-3-2-4-16(19)17-10-11-20-21-12-18(23(20)22-17)15-8-6-14(13-24)7-9-15/h2-12,24H,13H2,1H3
InChIKeyJTUHIDHHYWUGAB-UHFFFAOYSA-N
XLogP3.56
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[6-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol?
The IUPAC name of [4-[6-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol (CID 126672930) is [4-[6-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol.
What is the SMILES notation for [4-[6-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol?
The canonical SMILES for [4-[6-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol is COc1ccccc1-c1ccc2ncc(-c3ccc(CO)cc3)n2n1.
What is the InChIKey of [4-[6-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol?
The InChIKey is JTUHIDHHYWUGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-25-19-5-3-2-4-16(19)17-10-11-20-21-12-18(23(20)22-17)15-8-6-14(13-24)7-9-15/h2-12,24H,13H2,1H3.
What are the key properties of [4-[6-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol?
[4-[6-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol has a molecular weight of 331.38 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol is sourced from PubChem (CID 126672930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).