8-[3-(4-fluorophenyl)-1-(trideuteriomethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazine-2-carboxylic acid

C17H12FN5O2 — CID 169227456

IUPAC8-[3-(4-fluorophenyl)-1-(trideuteriomethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazine-2-carboxylic acid
SMILES[2H]C([2H])([2H])n1cc(-c2ccnn3cc(C(=O)O)nc23)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H12FN5O2/c1-22-8-13(15(21-22)10-2-4-11(18)5-3-10)12-6-7-19-23-9-14(17(24)25)20-16(12)23/h2-9H,1H3,(H,24,25)/i1D3
InChIKeyMGUCWIADGOKCGP-FIBGUPNXSA-N
MW340.33 g/mol
LogP2.63
Rot. Bonds4

About 8-[3-(4-fluorophenyl)-1-(trideuteriomethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazine-2-carboxylic acid

8-[3-(4-fluorophenyl)-1-(trideuteriomethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazine-2-carboxylic acid (PubChem CID 169227456) has the molecular formula C17H12FN5O2 and a molecular weight of 340.33 g/mol. Its IUPAC name is 8-[3-(4-fluorophenyl)-1-(trideuteriomethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazine-2-carboxylic acid.

Molecular Properties

Compound Name8-[3-(4-fluorophenyl)-1-(trideuteriomethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazine-2-carboxylic acid
PubChem CID169227456
Molecular FormulaC17H12FN5O2
Molecular Weight340.33 g/mol
Exact Mass340.12
IUPAC Name8-[3-(4-fluorophenyl)-1-(trideuteriomethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazine-2-carboxylic acid
SMILES[2H]C([2H])([2H])n1cc(-c2ccnn3cc(C(=O)O)nc23)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H12FN5O2/c1-22-8-13(15(21-22)10-2-4-11(18)5-3-10)12-6-7-19-23-9-14(17(24)25)20-16(12)23/h2-9H,1H3,(H,24,25)/i1D3
InChIKeyMGUCWIADGOKCGP-FIBGUPNXSA-N
XLogP2.63
TPSA85.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[8-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]methyl]acetamide
CID 167125860
1-[8-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-N-methylmethanamine
CID 167125909
N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-2-carboxamide
CID 118537094
N-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]benzamide
CID 90465183
6-chloro-8-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-methylimidazo[1,2-b]pyridazine
CID 167125915
N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrimidine-4-carboxamide
CID 118537093
1-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-phenylurea
CID 90248400
N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]propanamide
CID 118550842
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]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 57382334
4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-methylpyridine
CID 155401195
N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methylpyridine-2-carboxamide
CID 118550846

Frequently Asked Questions

What is the IUPAC name of 8-[3-(4-fluorophenyl)-1-(trideuteriomethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazine-2-carboxylic acid?
The IUPAC name of 8-[3-(4-fluorophenyl)-1-(trideuteriomethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazine-2-carboxylic acid (CID 169227456) is 8-[3-(4-fluorophenyl)-1-(trideuteriomethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazine-2-carboxylic acid.
What is the SMILES notation for 8-[3-(4-fluorophenyl)-1-(trideuteriomethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazine-2-carboxylic acid?
The canonical SMILES for 8-[3-(4-fluorophenyl)-1-(trideuteriomethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazine-2-carboxylic acid is [2H]C([2H])([2H])n1cc(-c2ccnn3cc(C(=O)O)nc23)c(-c2ccc(F)cc2)n1.
What is the InChIKey of 8-[3-(4-fluorophenyl)-1-(trideuteriomethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazine-2-carboxylic acid?
The InChIKey is MGUCWIADGOKCGP-FIBGUPNXSA-N. The full InChI is InChI=1S/C17H12FN5O2/c1-22-8-13(15(21-22)10-2-4-11(18)5-3-10)12-6-7-19-23-9-14(17(24)25)20-16(12)23/h2-9H,1H3,(H,24,25)/i1D3.
What are the key properties of 8-[3-(4-fluorophenyl)-1-(trideuteriomethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazine-2-carboxylic acid?
8-[3-(4-fluorophenyl)-1-(trideuteriomethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazine-2-carboxylic acid has a molecular weight of 340.33 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(4-fluorophenyl)-1-(trideuteriomethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazine-2-carboxylic acid is sourced from PubChem (CID 169227456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).