[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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Related Compounds

3-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]triazolo[4,5-b]pyridin-6-amine
CID 42602774
7-(2-Methoxyphenyl)-N-(4-(4-methylpiperazin-1-yl)phenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 54577892
(2S)-1-[4-[3-[[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperazin-1-yl]propan-2-ol
CID 57390669
[7-(2-Methoxy-phenyl)-pyrrolo[2,1-f][1,2,4]triazin-2-yl]-(4-morpholin-4-yl-phenyl)-amine
CID 57392473
(2S)-1-[4-[2-fluoro-4-[[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperazin-1-yl]propan-2-ol
CID 57392475
(2S)-1-[4-[4-[[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperidin-1-yl]propan-2-ol
CID 57394024
(S)-1-(4-{4-[7-(2-Methoxy-phenyl)-pyrrolo[2,1-f][1,2,4]triazin-2-ylamino]-phenyl}-piperazin-1-yl)-propan-2-ol
CID 57399414
[7-(2-Methoxy-phenyl)-pyrrolo[2,1-f][1,2,4]triazin-2-yl]-(3-morpholin-4-yl-phenyl)-amine
CID 57399415
7-(2-methoxyphenyl)-N-(4-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 57402936
[7-(2-Methoxy-phenyl)-pyrrolo[2,1-f][1,2,4]triazin-2-yl]-[3-(4-methyl-piperazin-1-yl)-phenyl]-amine
CID 57402937
N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 57402938
3,6-Bis(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 134179263

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).