1-[2-(4-fluorophenyl)-3-[2-(2-hydroxypropan-2-yl)imidazo[1,2-b]pyridazin-8-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone

C23H23FN6O2 — CID 167125854

IUPAC1-[2-(4-fluorophenyl)-3-[2-(2-hydroxypropan-2-yl)imidazo[1,2-b]pyridazin-8-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
SMILESCC(=O)N1CCn2nc(-c3ccc(F)cc3)c(-c3ccnn4cc(C(C)(C)O)nc34)c2C1
InChIInChI=1S/C23H23FN6O2/c1-14(31)28-10-11-29-18(12-28)20(21(27-29)15-4-6-16(24)7-5-15)17-8-9-25-30-13-19(23(2,3)32)26-22(17)30/h4-9,13,32H,10-12H2,1-3H3
InChIKeyDQQOPCLBXBQHKG-UHFFFAOYSA-N
MW434.48 g/mol
LogP2.99
Rot. Bonds3

About 1-[2-(4-fluorophenyl)-3-[2-(2-hydroxypropan-2-yl)imidazo[1,2-b]pyridazin-8-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone

1-[2-(4-fluorophenyl)-3-[2-(2-hydroxypropan-2-yl)imidazo[1,2-b]pyridazin-8-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone (PubChem CID 167125854) has the molecular formula C23H23FN6O2 and a molecular weight of 434.48 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-3-[2-(2-hydroxypropan-2-yl)imidazo[1,2-b]pyridazin-8-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-3-[2-(2-hydroxypropan-2-yl)imidazo[1,2-b]pyridazin-8-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
PubChem CID167125854
Molecular FormulaC23H23FN6O2
Molecular Weight434.48 g/mol
Exact Mass434.19
IUPAC Name1-[2-(4-fluorophenyl)-3-[2-(2-hydroxypropan-2-yl)imidazo[1,2-b]pyridazin-8-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
SMILESCC(=O)N1CCn2nc(-c3ccc(F)cc3)c(-c3ccnn4cc(C(C)(C)O)nc34)c2C1
InChIInChI=1S/C23H23FN6O2/c1-14(31)28-10-11-29-18(12-28)20(21(27-29)15-4-6-16(24)7-5-15)17-8-9-25-30-13-19(23(2,3)32)26-22(17)30/h4-9,13,32H,10-12H2,1-3H3
InChIKeyDQQOPCLBXBQHKG-UHFFFAOYSA-N
XLogP2.99
TPSA88.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[2-(4-fluorophenyl)-3-[2-(2-hydroxypropan-2-yl)imidazo[1,2-b]pyridazin-8-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-3-[2-(2-hydroxypropan-2-yl)imidazo[1,2-b]pyridazin-8-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone?
The IUPAC name of 1-[2-(4-fluorophenyl)-3-[2-(2-hydroxypropan-2-yl)imidazo[1,2-b]pyridazin-8-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone (CID 167125854) is 1-[2-(4-fluorophenyl)-3-[2-(2-hydroxypropan-2-yl)imidazo[1,2-b]pyridazin-8-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-3-[2-(2-hydroxypropan-2-yl)imidazo[1,2-b]pyridazin-8-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone?
The canonical SMILES for 1-[2-(4-fluorophenyl)-3-[2-(2-hydroxypropan-2-yl)imidazo[1,2-b]pyridazin-8-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone is CC(=O)N1CCn2nc(-c3ccc(F)cc3)c(-c3ccnn4cc(C(C)(C)O)nc34)c2C1.
What is the InChIKey of 1-[2-(4-fluorophenyl)-3-[2-(2-hydroxypropan-2-yl)imidazo[1,2-b]pyridazin-8-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone?
The InChIKey is DQQOPCLBXBQHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O2/c1-14(31)28-10-11-29-18(12-28)20(21(27-29)15-4-6-16(24)7-5-15)17-8-9-25-30-13-19(23(2,3)32)26-22(17)30/h4-9,13,32H,10-12H2,1-3H3.
What are the key properties of 1-[2-(4-fluorophenyl)-3-[2-(2-hydroxypropan-2-yl)imidazo[1,2-b]pyridazin-8-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone?
1-[2-(4-fluorophenyl)-3-[2-(2-hydroxypropan-2-yl)imidazo[1,2-b]pyridazin-8-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone has a molecular weight of 434.48 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-3-[2-(2-hydroxypropan-2-yl)imidazo[1,2-b]pyridazin-8-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone is sourced from PubChem (CID 167125854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).