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

C23H22F2N6O2 — CID 167062379

IUPAC5-(2-fluoro-6-methoxyphenyl)-3-[2-fluoro-5-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one
SMILESCOc1cccc(F)c1-n1nc2c(-c3cc(N4CCN(C)CC4)ccc3F)n[nH]c2cc1=O
InChIInChI=1S/C23H22F2N6O2/c1-29-8-10-30(11-9-29)14-6-7-16(24)15(12-14)21-22-18(26-27-21)13-20(32)31(28-22)23-17(25)4-3-5-19(23)33-2/h3-7,12-13,26H,8-11H2,1-2H3
InChIKeyYUGUBCYYWQZRTL-UHFFFAOYSA-N
MW452.47 g/mol
LogP2.81
Rot. Bonds4

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

5-(2-fluoro-6-methoxyphenyl)-3-[2-fluoro-5-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one (PubChem CID 167062379) has the molecular formula C23H22F2N6O2 and a molecular weight of 452.47 g/mol. Its IUPAC name is 5-(2-fluoro-6-methoxyphenyl)-3-[2-fluoro-5-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one.

Molecular Properties

Compound Name5-(2-fluoro-6-methoxyphenyl)-3-[2-fluoro-5-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one
PubChem CID167062379
Molecular FormulaC23H22F2N6O2
Molecular Weight452.47 g/mol
Exact Mass452.18
IUPAC Name5-(2-fluoro-6-methoxyphenyl)-3-[2-fluoro-5-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one
SMILESCOc1cccc(F)c1-n1nc2c(-c3cc(N4CCN(C)CC4)ccc3F)n[nH]c2cc1=O
InChIInChI=1S/C23H22F2N6O2/c1-29-8-10-30(11-9-29)14-6-7-16(24)15(12-14)21-22-18(26-27-21)13-20(32)31(28-22)23-17(25)4-3-5-19(23)33-2/h3-7,12-13,26H,8-11H2,1-2H3
InChIKeyYUGUBCYYWQZRTL-UHFFFAOYSA-N
XLogP2.81
TPSA79.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.47
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(2-fluoro-6-methoxyphenyl)-3-[2-fluoro-5-(4-methylpiperazin-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

Related Compounds

3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one
CID 175959489
5-(2-fluoro-6-methoxyphenyl)-3-(2-piperazin-1-ylpyrimidin-5-yl)-1H-pyrazolo[4,3-c]pyridazin-6-one
CID 163361027
3-[4-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]phenyl]-5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one
CID 167062286
5-(2-fluoro-6-methylphenyl)-3-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one
CID 167062372
3-[4-[4-(2,2-difluoroethyl)piperazin-1-yl]phenyl]-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one
CID 167062282
5-[2-fluoro-6-methyl-4-(methylaminomethyl)phenyl]-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one
CID 167062475
5-(2-fluoro-6-methoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridine
CID 134327883
5-(2-fluoro-6-methylphenyl)-3-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-1H-pyrazolo[4,3-c]pyridazin-6-one
CID 167062385
5-(2-fluoro-6-methylphenyl)-3-(2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)-1H-pyrazolo[4,3-c]pyridazin-6-one
CID 170554882
3-[4-(4-methylpiperazin-1-yl)phenyl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]pyridazin-6-one
CID 167062343
3-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one
CID 167062300
3-[4-(4-methylpiperazin-1-yl)phenyl]-5-(4-methylpyrimidin-5-yl)-1H-pyrazolo[4,3-c]pyridazin-6-one
CID 167062337

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-6-methoxyphenyl)-3-[2-fluoro-5-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one?
The IUPAC name of 5-(2-fluoro-6-methoxyphenyl)-3-[2-fluoro-5-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one (CID 167062379) is 5-(2-fluoro-6-methoxyphenyl)-3-[2-fluoro-5-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one.
What is the SMILES notation for 5-(2-fluoro-6-methoxyphenyl)-3-[2-fluoro-5-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one?
The canonical SMILES for 5-(2-fluoro-6-methoxyphenyl)-3-[2-fluoro-5-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one is COc1cccc(F)c1-n1nc2c(-c3cc(N4CCN(C)CC4)ccc3F)n[nH]c2cc1=O.
What is the InChIKey of 5-(2-fluoro-6-methoxyphenyl)-3-[2-fluoro-5-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one?
The InChIKey is YUGUBCYYWQZRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N6O2/c1-29-8-10-30(11-9-29)14-6-7-16(24)15(12-14)21-22-18(26-27-21)13-20(32)31(28-22)23-17(25)4-3-5-19(23)33-2/h3-7,12-13,26H,8-11H2,1-2H3.
What are the key properties of 5-(2-fluoro-6-methoxyphenyl)-3-[2-fluoro-5-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one?
5-(2-fluoro-6-methoxyphenyl)-3-[2-fluoro-5-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one has a molecular weight of 452.47 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-6-methoxyphenyl)-3-[2-fluoro-5-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one is sourced from PubChem (CID 167062379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).