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

C20H19FN8O2 — CID 163361027

IUPAC5-(2-fluoro-6-methoxyphenyl)-3-(2-piperazin-1-ylpyrimidin-5-yl)-1H-pyrazolo[4,3-c]pyridazin-6-one
SMILESCOc1cccc(F)c1-n1nc2c(-c3cnc(N4CCNCC4)nc3)n[nH]c2cc1=O
InChIInChI=1S/C20H19FN8O2/c1-31-15-4-2-3-13(21)19(15)29-16(30)9-14-18(27-29)17(26-25-14)12-10-23-20(24-11-12)28-7-5-22-6-8-28/h2-4,9-11,22,25H,5-8H2,1H3
InChIKeyFPVOEDYHHPRTMA-UHFFFAOYSA-N
MW422.42 g/mol
LogP1.12
Rot. Bonds4

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

5-(2-fluoro-6-methoxyphenyl)-3-(2-piperazin-1-ylpyrimidin-5-yl)-1H-pyrazolo[4,3-c]pyridazin-6-one (PubChem CID 163361027) has the molecular formula C20H19FN8O2 and a molecular weight of 422.42 g/mol. Its IUPAC name is 5-(2-fluoro-6-methoxyphenyl)-3-(2-piperazin-1-ylpyrimidin-5-yl)-1H-pyrazolo[4,3-c]pyridazin-6-one.

Molecular Properties

Compound Name5-(2-fluoro-6-methoxyphenyl)-3-(2-piperazin-1-ylpyrimidin-5-yl)-1H-pyrazolo[4,3-c]pyridazin-6-one
PubChem CID163361027
Molecular FormulaC20H19FN8O2
Molecular Weight422.42 g/mol
Exact Mass422.16
IUPAC Name5-(2-fluoro-6-methoxyphenyl)-3-(2-piperazin-1-ylpyrimidin-5-yl)-1H-pyrazolo[4,3-c]pyridazin-6-one
SMILESCOc1cccc(F)c1-n1nc2c(-c3cnc(N4CCNCC4)nc3)n[nH]c2cc1=O
InChIInChI=1S/C20H19FN8O2/c1-31-15-4-2-3-13(21)19(15)29-16(30)9-14-18(27-29)17(26-25-14)12-10-23-20(24-11-12)28-7-5-22-6-8-28/h2-4,9-11,22,25H,5-8H2,1H3
InChIKeyFPVOEDYHHPRTMA-UHFFFAOYSA-N
XLogP1.12
TPSA113.85 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.42
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-(2-methoxyphenyl)-4-(pyrimidin-2-yl)piperazine-1-carboxamide
CID 736392
US20230322789, Example 28
CID 169422913
US20230322789, Example 78
CID 169422962
1-(2-Methoxy-5-methylphenyl)-3-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]urea
CID 71790138
N-[(4-fluorophenyl)methyl]-1-[4-(2-methoxyanilino)pyrimidin-2-yl]piperidine-4-carboxamide
CID 134796039
N-[(3-fluorophenyl)methyl]-1-[4-(2-methoxyanilino)pyrimidin-2-yl]piperidine-4-carboxamide
CID 134796638
5-(4-Methoxy-phenyl)-3-(pyrimidin-2-ylamino)-1,5-dihydro-pyrazolo[4,3-c]pyridazin-6-one
CID 10065515
(1R,9R)-N-(2-methoxyphenyl)-6-oxo-3-pyrimidin-5-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
CID 9420461
N-[(2-Fluorophenyl)methyl]-5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4-methylpyrimidin-2-amine
CID 20959916
N-ethyl-5-{[4-(2-methoxyphenyl)-1-piperazinyl]carbonyl}-2-pyrimidinamine
CID 72858782
8-ethyl 2-(3-fluoro-2-methoxyphenylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
CID 18374874
2-[3-[4-(5-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-N-[3-[(2-oxo-1H-pyrimidin-6-yl)amino]propyl]pyrimidine-4-carboxamide
CID 19795862

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-6-methoxyphenyl)-3-(2-piperazin-1-ylpyrimidin-5-yl)-1H-pyrazolo[4,3-c]pyridazin-6-one?
The IUPAC name of 5-(2-fluoro-6-methoxyphenyl)-3-(2-piperazin-1-ylpyrimidin-5-yl)-1H-pyrazolo[4,3-c]pyridazin-6-one (CID 163361027) is 5-(2-fluoro-6-methoxyphenyl)-3-(2-piperazin-1-ylpyrimidin-5-yl)-1H-pyrazolo[4,3-c]pyridazin-6-one.
What is the SMILES notation for 5-(2-fluoro-6-methoxyphenyl)-3-(2-piperazin-1-ylpyrimidin-5-yl)-1H-pyrazolo[4,3-c]pyridazin-6-one?
The canonical SMILES for 5-(2-fluoro-6-methoxyphenyl)-3-(2-piperazin-1-ylpyrimidin-5-yl)-1H-pyrazolo[4,3-c]pyridazin-6-one is COc1cccc(F)c1-n1nc2c(-c3cnc(N4CCNCC4)nc3)n[nH]c2cc1=O.
What is the InChIKey of 5-(2-fluoro-6-methoxyphenyl)-3-(2-piperazin-1-ylpyrimidin-5-yl)-1H-pyrazolo[4,3-c]pyridazin-6-one?
The InChIKey is FPVOEDYHHPRTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN8O2/c1-31-15-4-2-3-13(21)19(15)29-16(30)9-14-18(27-29)17(26-25-14)12-10-23-20(24-11-12)28-7-5-22-6-8-28/h2-4,9-11,22,25H,5-8H2,1H3.
What are the key properties of 5-(2-fluoro-6-methoxyphenyl)-3-(2-piperazin-1-ylpyrimidin-5-yl)-1H-pyrazolo[4,3-c]pyridazin-6-one?
5-(2-fluoro-6-methoxyphenyl)-3-(2-piperazin-1-ylpyrimidin-5-yl)-1H-pyrazolo[4,3-c]pyridazin-6-one has a molecular weight of 422.42 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-6-methoxyphenyl)-3-(2-piperazin-1-ylpyrimidin-5-yl)-1H-pyrazolo[4,3-c]pyridazin-6-one is sourced from PubChem (CID 163361027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).