3-[[6-[(4-fluorophenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-3-yl]amino]phenol

C20H18FN5O — CID 134804986

IUPAC3-[[6-[(4-fluorophenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-3-yl]amino]phenol
SMILESCN(Cc1ccc(F)cc1)c1ccc2ncc(Nc3cccc(O)c3)n2n1
InChIInChI=1S/C20H18FN5O/c1-25(13-14-5-7-15(21)8-6-14)19-10-9-18-22-12-20(26(18)24-19)23-16-3-2-4-17(27)11-16/h2-12,23,27H,13H2,1H3
InChIKeyQQPCJJWXXOKNNJ-UHFFFAOYSA-N
MW363.40 g/mol
LogP3.95
Rot. Bonds5

About 3-[[6-[(4-fluorophenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-3-yl]amino]phenol

3-[[6-[(4-fluorophenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-3-yl]amino]phenol (PubChem CID 134804986) has the molecular formula C20H18FN5O and a molecular weight of 363.40 g/mol. Its IUPAC name is 3-[[6-[(4-fluorophenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-3-yl]amino]phenol.

Molecular Properties

Compound Name3-[[6-[(4-fluorophenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-3-yl]amino]phenol
PubChem CID134804986
Molecular FormulaC20H18FN5O
Molecular Weight363.40 g/mol
Exact Mass363.15
IUPAC Name3-[[6-[(4-fluorophenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-3-yl]amino]phenol
SMILESCN(Cc1ccc(F)cc1)c1ccc2ncc(Nc3cccc(O)c3)n2n1
InChIInChI=1S/C20H18FN5O/c1-25(13-14-5-7-15(21)8-6-14)19-10-9-18-22-12-20(26(18)24-19)23-16-3-2-4-17(27)11-16/h2-12,23,27H,13H2,1H3
InChIKeyQQPCJJWXXOKNNJ-UHFFFAOYSA-N
XLogP3.95
TPSA65.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 118009188
3-({5-[(4-Amino-4-Methylpiperidin-1-Yl)methyl]pyrrolo[2,1-F][1,2,4]triazin-4-Yl}amino)-5-Bromophenol
CID 135566890
2-[3-(7-Amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)propyl]phenol
CID 118708238
4-[3-(Cyclohexylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenol
CID 856590
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CID 9794758
2-Methyl-5-(5-methyl-pyrrolo[2,1-f][1,2,4]triazin-4-ylamino)-phenol
CID 9859850
2-Methyl-5-(6-methyl-pyrrolo[2,1-f][1,2,4]triazin-4-ylamino)-phenol
CID 10131256
5-(5,6-Dimethyl-pyrrolo[2,1-f][1,2,4]triazin-4-ylamino)-2-methyl-phenol
CID 10199254
5-methyl-N-[3-(methyloxy)phenyl]-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine
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Frequently Asked Questions

What is the IUPAC name of 3-[[6-[(4-fluorophenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-3-yl]amino]phenol?
The IUPAC name of 3-[[6-[(4-fluorophenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-3-yl]amino]phenol (CID 134804986) is 3-[[6-[(4-fluorophenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-3-yl]amino]phenol.
What is the SMILES notation for 3-[[6-[(4-fluorophenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-3-yl]amino]phenol?
The canonical SMILES for 3-[[6-[(4-fluorophenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-3-yl]amino]phenol is CN(Cc1ccc(F)cc1)c1ccc2ncc(Nc3cccc(O)c3)n2n1.
What is the InChIKey of 3-[[6-[(4-fluorophenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-3-yl]amino]phenol?
The InChIKey is QQPCJJWXXOKNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O/c1-25(13-14-5-7-15(21)8-6-14)19-10-9-18-22-12-20(26(18)24-19)23-16-3-2-4-17(27)11-16/h2-12,23,27H,13H2,1H3.
What are the key properties of 3-[[6-[(4-fluorophenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-3-yl]amino]phenol?
3-[[6-[(4-fluorophenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-3-yl]amino]phenol has a molecular weight of 363.40 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-[(4-fluorophenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-3-yl]amino]phenol is sourced from PubChem (CID 134804986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).