N-[[8-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]methyl]acetamide

C19H17FN6O — CID 167125860

IUPACN-[[8-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]methyl]acetamide
SMILESCC(=O)NCc1cn2nccc(-c3cn(C)nc3-c3ccc(F)cc3)c2n1
InChIInChI=1S/C19H17FN6O/c1-12(27)21-9-15-10-26-19(23-15)16(7-8-22-26)17-11-25(2)24-18(17)13-3-5-14(20)6-4-13/h3-8,10-11H,9H2,1-2H3,(H,21,27)
InChIKeyAPFNJCDRBXMXEX-UHFFFAOYSA-N
MW364.38 g/mol
LogP2.57
Rot. Bonds4

About N-[[8-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]methyl]acetamide

N-[[8-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]methyl]acetamide (PubChem CID 167125860) has the molecular formula C19H17FN6O and a molecular weight of 364.38 g/mol. Its IUPAC name is N-[[8-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[8-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]methyl]acetamide
PubChem CID167125860
Molecular FormulaC19H17FN6O
Molecular Weight364.38 g/mol
Exact Mass364.14
IUPAC NameN-[[8-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]methyl]acetamide
SMILESCC(=O)NCc1cn2nccc(-c3cn(C)nc3-c3ccc(F)cc3)c2n1
InChIInChI=1S/C19H17FN6O/c1-12(27)21-9-15-10-26-19(23-15)16(7-8-22-26)17-11-25(2)24-18(17)13-3-5-14(20)6-4-13/h3-8,10-11H,9H2,1-2H3,(H,21,27)
InChIKeyAPFNJCDRBXMXEX-UHFFFAOYSA-N
XLogP2.57
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[8-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-N-methylmethanamine
CID 167125909
8-[3-(4-fluorophenyl)-1-(trideuteriomethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazine-2-carboxylic acid
CID 169227456
N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]propanamide
CID 118550842
N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-2-carboxamide
CID 118537094
6-chloro-8-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-methylimidazo[1,2-b]pyridazine
CID 167125915
1-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-phenylurea
CID 90248400
2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide
CID 118537123
[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methanamine
CID 73293375
N-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]benzamide
CID 90465183
N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrimidine-4-carboxamide
CID 118537093
3,5-difluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide
CID 118537121
N-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 110091766

Frequently Asked Questions

What is the IUPAC name of N-[[8-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]methyl]acetamide?
The IUPAC name of N-[[8-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]methyl]acetamide (CID 167125860) is N-[[8-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[8-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]methyl]acetamide?
The canonical SMILES for N-[[8-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]methyl]acetamide is CC(=O)NCc1cn2nccc(-c3cn(C)nc3-c3ccc(F)cc3)c2n1.
What is the InChIKey of N-[[8-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]methyl]acetamide?
The InChIKey is APFNJCDRBXMXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6O/c1-12(27)21-9-15-10-26-19(23-15)16(7-8-22-26)17-11-25(2)24-18(17)13-3-5-14(20)6-4-13/h3-8,10-11H,9H2,1-2H3,(H,21,27).
What are the key properties of N-[[8-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]methyl]acetamide?
N-[[8-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]methyl]acetamide has a molecular weight of 364.38 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[8-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]methyl]acetamide is sourced from PubChem (CID 167125860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).