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

C25H27FN6O — CID 167062280

IUPAC5-(2-fluoro-6-methylphenyl)-3-[4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one
SMILESCc1cccc(F)c1-n1nc2c(-c3ccc(N4C[C@@H](C)N(C)[C@@H](C)C4)cc3)n[nH]c2cc1=O
InChIInChI=1S/C25H27FN6O/c1-15-6-5-7-20(26)25(15)32-22(33)12-21-24(29-32)23(28-27-21)18-8-10-19(11-9-18)31-13-16(2)30(4)17(3)14-31/h5-12,16-17,27H,13-14H2,1-4H3/t16-,17+
InChIKeyPLBYFDPNRGNXAG-CALCHBBNSA-N
MW446.53 g/mol
LogP3.75
Rot. Bonds3

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

5-(2-fluoro-6-methylphenyl)-3-[4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one (PubChem CID 167062280) 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-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one.

Molecular Properties

Compound Name5-(2-fluoro-6-methylphenyl)-3-[4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one
PubChem CID167062280
Molecular FormulaC25H27FN6O
Molecular Weight446.53 g/mol
Exact Mass446.22
IUPAC Name5-(2-fluoro-6-methylphenyl)-3-[4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one
SMILESCc1cccc(F)c1-n1nc2c(-c3ccc(N4C[C@@H](C)N(C)[C@@H](C)C4)cc3)n[nH]c2cc1=O
InChIInChI=1S/C25H27FN6O/c1-15-6-5-7-20(26)25(15)32-22(33)12-21-24(29-32)23(28-27-21)18-8-10-19(11-9-18)31-13-16(2)30(4)17(3)14-31/h5-12,16-17,27H,13-14H2,1-4H3/t16-,17+
InChIKeyPLBYFDPNRGNXAG-CALCHBBNSA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-6-methylphenyl)-3-[4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one?
The IUPAC name of 5-(2-fluoro-6-methylphenyl)-3-[4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one (CID 167062280) is 5-(2-fluoro-6-methylphenyl)-3-[4-[(3R,5S)-3,4,5-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-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one?
The canonical SMILES for 5-(2-fluoro-6-methylphenyl)-3-[4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one is Cc1cccc(F)c1-n1nc2c(-c3ccc(N4C[C@@H](C)N(C)[C@@H](C)C4)cc3)n[nH]c2cc1=O.
What is the InChIKey of 5-(2-fluoro-6-methylphenyl)-3-[4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one?
The InChIKey is PLBYFDPNRGNXAG-CALCHBBNSA-N. The full InChI is InChI=1S/C25H27FN6O/c1-15-6-5-7-20(26)25(15)32-22(33)12-21-24(29-32)23(28-27-21)18-8-10-19(11-9-18)31-13-16(2)30(4)17(3)14-31/h5-12,16-17,27H,13-14H2,1-4H3/t16-,17+.
What are the key properties of 5-(2-fluoro-6-methylphenyl)-3-[4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one?
5-(2-fluoro-6-methylphenyl)-3-[4-[(3R,5S)-3,4,5-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-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one is sourced from PubChem (CID 167062280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).