2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-(hydroxymethyl)benzamide

C24H18F2N6O2 — CID 118537126

IUPAC2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-(hydroxymethyl)benzamide
SMILESCn1cc(-c2ccc3nc(NC(=O)c4ccc(CO)cc4F)cn3n2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C24H18F2N6O2/c1-31-11-18(23(30-31)15-3-5-16(25)6-4-15)20-8-9-22-27-21(12-32(22)29-20)28-24(34)17-7-2-14(13-33)10-19(17)26/h2-12,33H,13H2,1H3,(H,28,34)
InChIKeyVXGQYWOGDDEIAH-UHFFFAOYSA-N
MW460.44 g/mol
LogP3.82
Rot. Bonds5

About 2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-(hydroxymethyl)benzamide

2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-(hydroxymethyl)benzamide (PubChem CID 118537126) has the molecular formula C24H18F2N6O2 and a molecular weight of 460.44 g/mol. Its IUPAC name is 2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-(hydroxymethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-(hydroxymethyl)benzamide
PubChem CID118537126
Molecular FormulaC24H18F2N6O2
Molecular Weight460.44 g/mol
Exact Mass460.15
IUPAC Name2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-(hydroxymethyl)benzamide
SMILESCn1cc(-c2ccc3nc(NC(=O)c4ccc(CO)cc4F)cn3n2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C24H18F2N6O2/c1-31-11-18(23(30-31)15-3-5-16(25)6-4-15)20-8-9-22-27-21(12-32(22)29-20)28-24(34)17-7-2-14(13-33)10-19(17)26/h2-12,33H,13H2,1H3,(H,28,34)
InChIKeyVXGQYWOGDDEIAH-UHFFFAOYSA-N
XLogP3.82
TPSA97.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.44
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-(hydroxymethyl)benzamide?
The IUPAC name of 2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-(hydroxymethyl)benzamide (CID 118537126) is 2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-(hydroxymethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-(hydroxymethyl)benzamide?
The canonical SMILES for 2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-(hydroxymethyl)benzamide is Cn1cc(-c2ccc3nc(NC(=O)c4ccc(CO)cc4F)cn3n2)c(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-(hydroxymethyl)benzamide?
The InChIKey is VXGQYWOGDDEIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N6O2/c1-31-11-18(23(30-31)15-3-5-16(25)6-4-15)20-8-9-22-27-21(12-32(22)29-20)28-24(34)17-7-2-14(13-33)10-19(17)26/h2-12,33H,13H2,1H3,(H,28,34).
What are the key properties of 2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-(hydroxymethyl)benzamide?
2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-(hydroxymethyl)benzamide has a molecular weight of 460.44 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-(hydroxymethyl)benzamide is sourced from PubChem (CID 118537126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).