5-(2-cyclopropyl-6-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one

C25H25FN6O — CID 163289152

IUPAC5-(2-cyclopropyl-6-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one
SMILESCN1CCN(c2ccc(-c3n[nH]c4cc(=O)n(-c5c(F)cccc5C5CC5)nc34)cc2)CC1
InChIInChI=1S/C25H25FN6O/c1-30-11-13-31(14-12-30)18-9-7-17(8-10-18)23-24-21(27-28-23)15-22(33)32(29-24)25-19(16-5-6-16)3-2-4-20(25)26/h2-4,7-10,15-16,27H,5-6,11-14H2,1H3
InChIKeyMFIPORQTNLYLNH-UHFFFAOYSA-N
MW444.51 g/mol
LogP3.54
Rot. Bonds4

About 5-(2-cyclopropyl-6-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one

5-(2-cyclopropyl-6-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one (PubChem CID 163289152) has the molecular formula C25H25FN6O and a molecular weight of 444.51 g/mol. Its IUPAC name is 5-(2-cyclopropyl-6-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one.

Molecular Properties

Compound Name5-(2-cyclopropyl-6-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one
PubChem CID163289152
Molecular FormulaC25H25FN6O
Molecular Weight444.51 g/mol
Exact Mass444.21
IUPAC Name5-(2-cyclopropyl-6-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one
SMILESCN1CCN(c2ccc(-c3n[nH]c4cc(=O)n(-c5c(F)cccc5C5CC5)nc34)cc2)CC1
InChIInChI=1S/C25H25FN6O/c1-30-11-13-31(14-12-30)18-9-7-17(8-10-18)23-24-21(27-28-23)15-22(33)32(29-24)25-19(16-5-6-16)3-2-4-20(25)26/h2-4,7-10,15-16,27H,5-6,11-14H2,1H3
InChIKeyMFIPORQTNLYLNH-UHFFFAOYSA-N
XLogP3.54
TPSA70.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopropyl-6-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one?
The IUPAC name of 5-(2-cyclopropyl-6-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one (CID 163289152) is 5-(2-cyclopropyl-6-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one.
What is the SMILES notation for 5-(2-cyclopropyl-6-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one?
The canonical SMILES for 5-(2-cyclopropyl-6-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one is CN1CCN(c2ccc(-c3n[nH]c4cc(=O)n(-c5c(F)cccc5C5CC5)nc34)cc2)CC1.
What is the InChIKey of 5-(2-cyclopropyl-6-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one?
The InChIKey is MFIPORQTNLYLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6O/c1-30-11-13-31(14-12-30)18-9-7-17(8-10-18)23-24-21(27-28-23)15-22(33)32(29-24)25-19(16-5-6-16)3-2-4-20(25)26/h2-4,7-10,15-16,27H,5-6,11-14H2,1H3.
What are the key properties of 5-(2-cyclopropyl-6-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one?
5-(2-cyclopropyl-6-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one has a molecular weight of 444.51 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopropyl-6-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one is sourced from PubChem (CID 163289152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).