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

C24H25FN6O — CID 163360972

IUPAC5-(2-ethyl-6-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one
SMILESCCc1cccc(F)c1-n1nc2c(-c3ccc(N4CCN(C)CC4)cc3)n[nH]c2cc1=O
InChIInChI=1S/C24H25FN6O/c1-3-16-5-4-6-19(25)24(16)31-21(32)15-20-23(28-31)22(27-26-20)17-7-9-18(10-8-17)30-13-11-29(2)12-14-30/h4-10,15,26H,3,11-14H2,1-2H3
InChIKeyTUAXFQPAWYYUEW-UHFFFAOYSA-N
MW432.50 g/mol
LogP3.23
Rot. Bonds4

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

5-(2-ethyl-6-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one (PubChem CID 163360972) has the molecular formula C24H25FN6O and a molecular weight of 432.50 g/mol. Its IUPAC name is 5-(2-ethyl-6-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one.

Molecular Properties

Compound Name5-(2-ethyl-6-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one
PubChem CID163360972
Molecular FormulaC24H25FN6O
Molecular Weight432.50 g/mol
Exact Mass432.21
IUPAC Name5-(2-ethyl-6-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one
SMILESCCc1cccc(F)c1-n1nc2c(-c3ccc(N4CCN(C)CC4)cc3)n[nH]c2cc1=O
InChIInChI=1S/C24H25FN6O/c1-3-16-5-4-6-19(25)24(16)31-21(32)15-20-23(28-31)22(27-26-20)17-7-9-18(10-8-17)30-13-11-29(2)12-14-30/h4-10,15,26H,3,11-14H2,1-2H3
InChIKeyTUAXFQPAWYYUEW-UHFFFAOYSA-N
XLogP3.23
TPSA70.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethyl-6-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one?
The IUPAC name of 5-(2-ethyl-6-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one (CID 163360972) is 5-(2-ethyl-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-ethyl-6-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one?
The canonical SMILES for 5-(2-ethyl-6-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one is CCc1cccc(F)c1-n1nc2c(-c3ccc(N4CCN(C)CC4)cc3)n[nH]c2cc1=O.
What is the InChIKey of 5-(2-ethyl-6-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one?
The InChIKey is TUAXFQPAWYYUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O/c1-3-16-5-4-6-19(25)24(16)31-21(32)15-20-23(28-31)22(27-26-20)17-7-9-18(10-8-17)30-13-11-29(2)12-14-30/h4-10,15,26H,3,11-14H2,1-2H3.
What are the key properties of 5-(2-ethyl-6-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one?
5-(2-ethyl-6-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one has a molecular weight of 432.50 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethyl-6-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one is sourced from PubChem (CID 163360972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).