6-[3-amino-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-yl]-2-(2-fluoro-5-methoxyphenyl)pyridazin-3-one

C23H23FN8O2 — CID 129057304

IUPAC6-[3-amino-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-yl]-2-(2-fluoro-5-methoxyphenyl)pyridazin-3-one
SMILESCOc1ccc(F)c(-n2nc(-c3nc(-c4cnn(C5CCNCC5)c4)cnc3N)ccc2=O)c1
InChIInChI=1S/C23H23FN8O2/c1-34-16-2-3-17(24)20(10-16)32-21(33)5-4-18(30-32)22-23(25)27-12-19(29-22)14-11-28-31(13-14)15-6-8-26-9-7-15/h2-5,10-13,15,26H,6-9H2,1H3,(H2,25,27)
InChIKeyRLLJBVQJFQMSFQ-UHFFFAOYSA-N
MW462.49 g/mol
LogP2.21
Rot. Bonds5

About 6-[3-amino-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-yl]-2-(2-fluoro-5-methoxyphenyl)pyridazin-3-one

6-[3-amino-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-yl]-2-(2-fluoro-5-methoxyphenyl)pyridazin-3-one (PubChem CID 129057304) has the molecular formula C23H23FN8O2 and a molecular weight of 462.49 g/mol. Its IUPAC name is 6-[3-amino-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-yl]-2-(2-fluoro-5-methoxyphenyl)pyridazin-3-one.

Molecular Properties

Compound Name6-[3-amino-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-yl]-2-(2-fluoro-5-methoxyphenyl)pyridazin-3-one
PubChem CID129057304
Molecular FormulaC23H23FN8O2
Molecular Weight462.49 g/mol
Exact Mass462.19
IUPAC Name6-[3-amino-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-yl]-2-(2-fluoro-5-methoxyphenyl)pyridazin-3-one
SMILESCOc1ccc(F)c(-n2nc(-c3nc(-c4cnn(C5CCNCC5)c4)cnc3N)ccc2=O)c1
InChIInChI=1S/C23H23FN8O2/c1-34-16-2-3-17(24)20(10-16)32-21(33)5-4-18(30-32)22-23(25)27-12-19(29-22)14-11-28-31(13-14)15-6-8-26-9-7-15/h2-5,10-13,15,26H,6-9H2,1H3,(H2,25,27)
InChIKeyRLLJBVQJFQMSFQ-UHFFFAOYSA-N
XLogP2.21
TPSA125.77 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.49
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-[3-amino-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-yl]-2-(2-fluoro-5-methoxyphenyl)pyridazin-3-one?
The IUPAC name of 6-[3-amino-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-yl]-2-(2-fluoro-5-methoxyphenyl)pyridazin-3-one (CID 129057304) is 6-[3-amino-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-yl]-2-(2-fluoro-5-methoxyphenyl)pyridazin-3-one.
What is the SMILES notation for 6-[3-amino-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-yl]-2-(2-fluoro-5-methoxyphenyl)pyridazin-3-one?
The canonical SMILES for 6-[3-amino-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-yl]-2-(2-fluoro-5-methoxyphenyl)pyridazin-3-one is COc1ccc(F)c(-n2nc(-c3nc(-c4cnn(C5CCNCC5)c4)cnc3N)ccc2=O)c1.
What is the InChIKey of 6-[3-amino-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-yl]-2-(2-fluoro-5-methoxyphenyl)pyridazin-3-one?
The InChIKey is RLLJBVQJFQMSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN8O2/c1-34-16-2-3-17(24)20(10-16)32-21(33)5-4-18(30-32)22-23(25)27-12-19(29-22)14-11-28-31(13-14)15-6-8-26-9-7-15/h2-5,10-13,15,26H,6-9H2,1H3,(H2,25,27).
What are the key properties of 6-[3-amino-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-yl]-2-(2-fluoro-5-methoxyphenyl)pyridazin-3-one?
6-[3-amino-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-yl]-2-(2-fluoro-5-methoxyphenyl)pyridazin-3-one has a molecular weight of 462.49 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-amino-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-yl]-2-(2-fluoro-5-methoxyphenyl)pyridazin-3-one is sourced from PubChem (CID 129057304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).