5-(2-fluoro-6-methylphenyl)-3-[4-(3,3,4-trimethylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one

C25H27FN6O — CID 167062283

IUPAC5-(2-fluoro-6-methylphenyl)-3-[4-(3,3,4-trimethylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one
SMILESCc1cccc(F)c1-n1nc2c(-c3ccc(N4CCN(C)C(C)(C)C4)cc3)n[nH]c2cc1=O
InChIInChI=1S/C25H27FN6O/c1-16-6-5-7-19(26)24(16)32-21(33)14-20-23(29-32)22(28-27-20)17-8-10-18(11-9-17)31-13-12-30(4)25(2,3)15-31/h5-11,14,27H,12-13,15H2,1-4H3
InChIKeyWWBHYHXHSNNAEJ-UHFFFAOYSA-N
MW446.53 g/mol
LogP3.75
Rot. Bonds3

About 5-(2-fluoro-6-methylphenyl)-3-[4-(3,3,4-trimethylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one

5-(2-fluoro-6-methylphenyl)-3-[4-(3,3,4-trimethylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one (PubChem CID 167062283) has the molecular formula C25H27FN6O and a molecular weight of 446.53 g/mol. Its IUPAC name is 5-(2-fluoro-6-methylphenyl)-3-[4-(3,3,4-trimethylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one.

Molecular Properties

Compound Name5-(2-fluoro-6-methylphenyl)-3-[4-(3,3,4-trimethylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one
PubChem CID167062283
Molecular FormulaC25H27FN6O
Molecular Weight446.53 g/mol
Exact Mass446.22
IUPAC Name5-(2-fluoro-6-methylphenyl)-3-[4-(3,3,4-trimethylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one
SMILESCc1cccc(F)c1-n1nc2c(-c3ccc(N4CCN(C)C(C)(C)C4)cc3)n[nH]c2cc1=O
InChIInChI=1S/C25H27FN6O/c1-16-6-5-7-19(26)24(16)32-21(33)14-20-23(29-32)22(28-27-20)17-8-10-18(11-9-17)31-13-12-30(4)25(2,3)15-31/h5-11,14,27H,12-13,15H2,1-4H3
InChIKeyWWBHYHXHSNNAEJ-UHFFFAOYSA-N
XLogP3.75
TPSA70.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-6-methylphenyl)-3-[4-(3,3,4-trimethylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one?
The IUPAC name of 5-(2-fluoro-6-methylphenyl)-3-[4-(3,3,4-trimethylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one (CID 167062283) is 5-(2-fluoro-6-methylphenyl)-3-[4-(3,3,4-trimethylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one.
What is the SMILES notation for 5-(2-fluoro-6-methylphenyl)-3-[4-(3,3,4-trimethylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one?
The canonical SMILES for 5-(2-fluoro-6-methylphenyl)-3-[4-(3,3,4-trimethylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one is Cc1cccc(F)c1-n1nc2c(-c3ccc(N4CCN(C)C(C)(C)C4)cc3)n[nH]c2cc1=O.
What is the InChIKey of 5-(2-fluoro-6-methylphenyl)-3-[4-(3,3,4-trimethylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one?
The InChIKey is WWBHYHXHSNNAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN6O/c1-16-6-5-7-19(26)24(16)32-21(33)14-20-23(29-32)22(28-27-20)17-8-10-18(11-9-17)31-13-12-30(4)25(2,3)15-31/h5-11,14,27H,12-13,15H2,1-4H3.
What are the key properties of 5-(2-fluoro-6-methylphenyl)-3-[4-(3,3,4-trimethylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one?
5-(2-fluoro-6-methylphenyl)-3-[4-(3,3,4-trimethylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one has a molecular weight of 446.53 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-6-methylphenyl)-3-[4-(3,3,4-trimethylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one is sourced from PubChem (CID 167062283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).