6-[3-amino-6-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]pyrazin-2-yl]-2-(2-fluoro-3,5-dimethoxyphenyl)pyridazin-3-one

C27H31FN8O4 — CID 129057306

IUPAC6-[3-amino-6-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]pyrazin-2-yl]-2-(2-fluoro-3,5-dimethoxyphenyl)pyridazin-3-one
SMILESCOCCN1CCC(n2cc(-c3cnc(N)c(-c4ccc(=O)n(-c5cc(OC)cc(OC)c5F)n4)n3)cn2)CC1
InChIInChI=1S/C27H31FN8O4/c1-38-11-10-34-8-6-18(7-9-34)35-16-17(14-31-35)21-15-30-27(29)26(32-21)20-4-5-24(37)36(33-20)22-12-19(39-2)13-23(40-3)25(22)28/h4-5,12-16,18H,6-11H2,1-3H3,(H2,29,30)
InChIKeyRFPTZQDUVNZXTN-UHFFFAOYSA-N
MW550.60 g/mol
LogP2.57
Rot. Bonds9

About 6-[3-amino-6-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]pyrazin-2-yl]-2-(2-fluoro-3,5-dimethoxyphenyl)pyridazin-3-one

6-[3-amino-6-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]pyrazin-2-yl]-2-(2-fluoro-3,5-dimethoxyphenyl)pyridazin-3-one (PubChem CID 129057306) has the molecular formula C27H31FN8O4 and a molecular weight of 550.60 g/mol. Its IUPAC name is 6-[3-amino-6-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]pyrazin-2-yl]-2-(2-fluoro-3,5-dimethoxyphenyl)pyridazin-3-one.

Molecular Properties

Compound Name6-[3-amino-6-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]pyrazin-2-yl]-2-(2-fluoro-3,5-dimethoxyphenyl)pyridazin-3-one
PubChem CID129057306
Molecular FormulaC27H31FN8O4
Molecular Weight550.60 g/mol
Exact Mass550.25
IUPAC Name6-[3-amino-6-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]pyrazin-2-yl]-2-(2-fluoro-3,5-dimethoxyphenyl)pyridazin-3-one
SMILESCOCCN1CCC(n2cc(-c3cnc(N)c(-c4ccc(=O)n(-c5cc(OC)cc(OC)c5F)n4)n3)cn2)CC1
InChIInChI=1S/C27H31FN8O4/c1-38-11-10-34-8-6-18(7-9-34)35-16-17(14-31-35)21-15-30-27(29)26(32-21)20-4-5-24(37)36(33-20)22-12-19(39-2)13-23(40-3)25(22)28/h4-5,12-16,18H,6-11H2,1-3H3,(H2,29,30)
InChIKeyRFPTZQDUVNZXTN-UHFFFAOYSA-N
XLogP2.57
TPSA135.44 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.60
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 6-[3-amino-6-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]pyrazin-2-yl]-2-(2-fluoro-3,5-dimethoxyphenyl)pyridazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[3-amino-6-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]pyrazin-2-yl]-2-(2-fluoro-3,5-dimethoxyphenyl)pyridazin-3-one?
The IUPAC name of 6-[3-amino-6-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]pyrazin-2-yl]-2-(2-fluoro-3,5-dimethoxyphenyl)pyridazin-3-one (CID 129057306) is 6-[3-amino-6-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]pyrazin-2-yl]-2-(2-fluoro-3,5-dimethoxyphenyl)pyridazin-3-one.
What is the SMILES notation for 6-[3-amino-6-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]pyrazin-2-yl]-2-(2-fluoro-3,5-dimethoxyphenyl)pyridazin-3-one?
The canonical SMILES for 6-[3-amino-6-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]pyrazin-2-yl]-2-(2-fluoro-3,5-dimethoxyphenyl)pyridazin-3-one is COCCN1CCC(n2cc(-c3cnc(N)c(-c4ccc(=O)n(-c5cc(OC)cc(OC)c5F)n4)n3)cn2)CC1.
What is the InChIKey of 6-[3-amino-6-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]pyrazin-2-yl]-2-(2-fluoro-3,5-dimethoxyphenyl)pyridazin-3-one?
The InChIKey is RFPTZQDUVNZXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN8O4/c1-38-11-10-34-8-6-18(7-9-34)35-16-17(14-31-35)21-15-30-27(29)26(32-21)20-4-5-24(37)36(33-20)22-12-19(39-2)13-23(40-3)25(22)28/h4-5,12-16,18H,6-11H2,1-3H3,(H2,29,30).
What are the key properties of 6-[3-amino-6-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]pyrazin-2-yl]-2-(2-fluoro-3,5-dimethoxyphenyl)pyridazin-3-one?
6-[3-amino-6-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]pyrazin-2-yl]-2-(2-fluoro-3,5-dimethoxyphenyl)pyridazin-3-one has a molecular weight of 550.60 g/mol, XLogP of 2.57, 9 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-amino-6-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]pyrazin-2-yl]-2-(2-fluoro-3,5-dimethoxyphenyl)pyridazin-3-one is sourced from PubChem (CID 129057306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).