6-N-[(4-fluorophenyl)methyl]-3-N-(5-methoxy-3-pyridinyl)-6-N-methylimidazo[1,2-b]pyridazine-3,6-diamine

C20H19FN6O — CID 134808754

IUPAC6-N-[(4-fluorophenyl)methyl]-3-N-(5-methoxy-3-pyridinyl)-6-N-methylimidazo[1,2-b]pyridazine-3,6-diamine
SMILESCOc1cncc(Nc2cnc3ccc(N(C)Cc4ccc(F)cc4)nn23)c1
InChIInChI=1S/C20H19FN6O/c1-26(13-14-3-5-15(21)6-4-14)19-8-7-18-23-12-20(27(18)25-19)24-16-9-17(28-2)11-22-10-16/h3-12,24H,13H2,1-2H3
InChIKeyAICUSZGEENLYRT-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.65
Rot. Bonds6

About 6-N-[(4-fluorophenyl)methyl]-3-N-(5-methoxy-3-pyridinyl)-6-N-methylimidazo[1,2-b]pyridazine-3,6-diamine

6-N-[(4-fluorophenyl)methyl]-3-N-(5-methoxy-3-pyridinyl)-6-N-methylimidazo[1,2-b]pyridazine-3,6-diamine (PubChem CID 134808754) has the molecular formula C20H19FN6O and a molecular weight of 378.41 g/mol. Its IUPAC name is 6-N-[(4-fluorophenyl)methyl]-3-N-(5-methoxy-3-pyridinyl)-6-N-methylimidazo[1,2-b]pyridazine-3,6-diamine.

Molecular Properties

Compound Name6-N-[(4-fluorophenyl)methyl]-3-N-(5-methoxy-3-pyridinyl)-6-N-methylimidazo[1,2-b]pyridazine-3,6-diamine
PubChem CID134808754
Molecular FormulaC20H19FN6O
Molecular Weight378.41 g/mol
Exact Mass378.16
IUPAC Name6-N-[(4-fluorophenyl)methyl]-3-N-(5-methoxy-3-pyridinyl)-6-N-methylimidazo[1,2-b]pyridazine-3,6-diamine
SMILESCOc1cncc(Nc2cnc3ccc(N(C)Cc4ccc(F)cc4)nn23)c1
InChIInChI=1S/C20H19FN6O/c1-26(13-14-3-5-15(21)6-4-14)19-8-7-18-23-12-20(27(18)25-19)24-16-9-17(28-2)11-22-10-16/h3-12,24H,13H2,1-2H3
InChIKeyAICUSZGEENLYRT-UHFFFAOYSA-N
XLogP3.65
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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N-(3-methoxyphenyl)-1-methyl-6-(4-methylpiperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
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7-methoxy-N-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine
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US10399985, Example 45
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7-(2-Methoxyphenyl)-N-(4-(4-methylpiperazin-1-yl)phenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
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(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
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[7-(2-Methoxy-phenyl)-pyrrolo[2,1-f][1,2,4]triazin-2-yl]-(3-morpholin-4-yl-phenyl)-amine
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Frequently Asked Questions

What is the IUPAC name of 6-N-[(4-fluorophenyl)methyl]-3-N-(5-methoxy-3-pyridinyl)-6-N-methylimidazo[1,2-b]pyridazine-3,6-diamine?
The IUPAC name of 6-N-[(4-fluorophenyl)methyl]-3-N-(5-methoxy-3-pyridinyl)-6-N-methylimidazo[1,2-b]pyridazine-3,6-diamine (CID 134808754) is 6-N-[(4-fluorophenyl)methyl]-3-N-(5-methoxy-3-pyridinyl)-6-N-methylimidazo[1,2-b]pyridazine-3,6-diamine.
What is the SMILES notation for 6-N-[(4-fluorophenyl)methyl]-3-N-(5-methoxy-3-pyridinyl)-6-N-methylimidazo[1,2-b]pyridazine-3,6-diamine?
The canonical SMILES for 6-N-[(4-fluorophenyl)methyl]-3-N-(5-methoxy-3-pyridinyl)-6-N-methylimidazo[1,2-b]pyridazine-3,6-diamine is COc1cncc(Nc2cnc3ccc(N(C)Cc4ccc(F)cc4)nn23)c1.
What is the InChIKey of 6-N-[(4-fluorophenyl)methyl]-3-N-(5-methoxy-3-pyridinyl)-6-N-methylimidazo[1,2-b]pyridazine-3,6-diamine?
The InChIKey is AICUSZGEENLYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O/c1-26(13-14-3-5-15(21)6-4-14)19-8-7-18-23-12-20(27(18)25-19)24-16-9-17(28-2)11-22-10-16/h3-12,24H,13H2,1-2H3.
What are the key properties of 6-N-[(4-fluorophenyl)methyl]-3-N-(5-methoxy-3-pyridinyl)-6-N-methylimidazo[1,2-b]pyridazine-3,6-diamine?
6-N-[(4-fluorophenyl)methyl]-3-N-(5-methoxy-3-pyridinyl)-6-N-methylimidazo[1,2-b]pyridazine-3,6-diamine has a molecular weight of 378.41 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(4-fluorophenyl)methyl]-3-N-(5-methoxy-3-pyridinyl)-6-N-methylimidazo[1,2-b]pyridazine-3,6-diamine is sourced from PubChem (CID 134808754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).