6-[3-amino-6-[1-[(5,5-dimethylmorpholin-2-yl)methyl]pyrazol-4-yl]pyrazin-2-yl]-2-(3,5-dimethoxyphenyl)pyridazin-3-one

C26H30N8O4 — CID 129066687

IUPAC6-[3-amino-6-[1-[(5,5-dimethylmorpholin-2-yl)methyl]pyrazol-4-yl]pyrazin-2-yl]-2-(3,5-dimethoxyphenyl)pyridazin-3-one
SMILESCOc1cc(OC)cc(-n2nc(-c3nc(-c4cnn(CC5CNC(C)(C)CO5)c4)cnc3N)ccc2=O)c1
InChIInChI=1S/C26H30N8O4/c1-26(2)15-38-20(11-29-26)14-33-13-16(10-30-33)22-12-28-25(27)24(31-22)21-5-6-23(35)34(32-21)17-7-18(36-3)9-19(8-17)37-4/h5-10,12-13,20,29H,11,14-15H2,1-4H3,(H2,27,28)
InChIKeyMLGJITMGHIKNFO-UHFFFAOYSA-N
MW518.58 g/mol
LogP1.92
Rot. Bonds7

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

6-[3-amino-6-[1-[(5,5-dimethylmorpholin-2-yl)methyl]pyrazol-4-yl]pyrazin-2-yl]-2-(3,5-dimethoxyphenyl)pyridazin-3-one (PubChem CID 129066687) has the molecular formula C26H30N8O4 and a molecular weight of 518.58 g/mol. Its IUPAC name is 6-[3-amino-6-[1-[(5,5-dimethylmorpholin-2-yl)methyl]pyrazol-4-yl]pyrazin-2-yl]-2-(3,5-dimethoxyphenyl)pyridazin-3-one.

Molecular Properties

Compound Name6-[3-amino-6-[1-[(5,5-dimethylmorpholin-2-yl)methyl]pyrazol-4-yl]pyrazin-2-yl]-2-(3,5-dimethoxyphenyl)pyridazin-3-one
PubChem CID129066687
Molecular FormulaC26H30N8O4
Molecular Weight518.58 g/mol
Exact Mass518.24
IUPAC Name6-[3-amino-6-[1-[(5,5-dimethylmorpholin-2-yl)methyl]pyrazol-4-yl]pyrazin-2-yl]-2-(3,5-dimethoxyphenyl)pyridazin-3-one
SMILESCOc1cc(OC)cc(-n2nc(-c3nc(-c4cnn(CC5CNC(C)(C)CO5)c4)cnc3N)ccc2=O)c1
InChIInChI=1S/C26H30N8O4/c1-26(2)15-38-20(11-29-26)14-33-13-16(10-30-33)22-12-28-25(27)24(31-22)21-5-6-23(35)34(32-21)17-7-18(36-3)9-19(8-17)37-4/h5-10,12-13,20,29H,11,14-15H2,1-4H3,(H2,27,28)
InChIKeyMLGJITMGHIKNFO-UHFFFAOYSA-N
XLogP1.92
TPSA144.23 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.58
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of 6-[3-amino-6-[1-[(5,5-dimethylmorpholin-2-yl)methyl]pyrazol-4-yl]pyrazin-2-yl]-2-(3,5-dimethoxyphenyl)pyridazin-3-one?
The IUPAC name of 6-[3-amino-6-[1-[(5,5-dimethylmorpholin-2-yl)methyl]pyrazol-4-yl]pyrazin-2-yl]-2-(3,5-dimethoxyphenyl)pyridazin-3-one (CID 129066687) is 6-[3-amino-6-[1-[(5,5-dimethylmorpholin-2-yl)methyl]pyrazol-4-yl]pyrazin-2-yl]-2-(3,5-dimethoxyphenyl)pyridazin-3-one.
What is the SMILES notation for 6-[3-amino-6-[1-[(5,5-dimethylmorpholin-2-yl)methyl]pyrazol-4-yl]pyrazin-2-yl]-2-(3,5-dimethoxyphenyl)pyridazin-3-one?
The canonical SMILES for 6-[3-amino-6-[1-[(5,5-dimethylmorpholin-2-yl)methyl]pyrazol-4-yl]pyrazin-2-yl]-2-(3,5-dimethoxyphenyl)pyridazin-3-one is COc1cc(OC)cc(-n2nc(-c3nc(-c4cnn(CC5CNC(C)(C)CO5)c4)cnc3N)ccc2=O)c1.
What is the InChIKey of 6-[3-amino-6-[1-[(5,5-dimethylmorpholin-2-yl)methyl]pyrazol-4-yl]pyrazin-2-yl]-2-(3,5-dimethoxyphenyl)pyridazin-3-one?
The InChIKey is MLGJITMGHIKNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N8O4/c1-26(2)15-38-20(11-29-26)14-33-13-16(10-30-33)22-12-28-25(27)24(31-22)21-5-6-23(35)34(32-21)17-7-18(36-3)9-19(8-17)37-4/h5-10,12-13,20,29H,11,14-15H2,1-4H3,(H2,27,28).
What are the key properties of 6-[3-amino-6-[1-[(5,5-dimethylmorpholin-2-yl)methyl]pyrazol-4-yl]pyrazin-2-yl]-2-(3,5-dimethoxyphenyl)pyridazin-3-one?
6-[3-amino-6-[1-[(5,5-dimethylmorpholin-2-yl)methyl]pyrazol-4-yl]pyrazin-2-yl]-2-(3,5-dimethoxyphenyl)pyridazin-3-one has a molecular weight of 518.58 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-amino-6-[1-[(5,5-dimethylmorpholin-2-yl)methyl]pyrazol-4-yl]pyrazin-2-yl]-2-(3,5-dimethoxyphenyl)pyridazin-3-one is sourced from PubChem (CID 129066687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).