6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-(3,5-dimethoxyphenyl)-4-propylpyridazin-3-one;2,2,2-trifluoroacetic acid

C25H26F3N7O5 — CID 130404725

IUPAC6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-(3,5-dimethoxyphenyl)-4-propylpyridazin-3-one;2,2,2-trifluoroacetic acid
SMILESCCCc1cc(-c2nc(-c3cnn(C)c3)cnc2N)nn(-c2cc(OC)cc(OC)c2)c1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C23H25N7O3.C2HF3O2/c1-5-6-14-7-19(21-22(24)25-12-20(27-21)15-11-26-29(2)13-15)28-30(23(14)31)16-8-17(32-3)10-18(9-16)33-4;3-2(4,5)1(6)7/h7-13H,5-6H2,1-4H3,(H2,24,25);(H,6,7)
InChIKeyXHVWKNAAKGRERA-UHFFFAOYSA-N
MW561.52 g/mol
LogP3.28
Rot. Bonds7

About 6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-(3,5-dimethoxyphenyl)-4-propylpyridazin-3-one;2,2,2-trifluoroacetic acid

6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-(3,5-dimethoxyphenyl)-4-propylpyridazin-3-one;2,2,2-trifluoroacetic acid (PubChem CID 130404725) has the molecular formula C25H26F3N7O5 and a molecular weight of 561.52 g/mol. Its IUPAC name is 6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-(3,5-dimethoxyphenyl)-4-propylpyridazin-3-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-(3,5-dimethoxyphenyl)-4-propylpyridazin-3-one;2,2,2-trifluoroacetic acid
PubChem CID130404725
Molecular FormulaC25H26F3N7O5
Molecular Weight561.52 g/mol
Exact Mass561.19
IUPAC Name6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-(3,5-dimethoxyphenyl)-4-propylpyridazin-3-one;2,2,2-trifluoroacetic acid
SMILESCCCc1cc(-c2nc(-c3cnn(C)c3)cnc2N)nn(-c2cc(OC)cc(OC)c2)c1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C23H25N7O3.C2HF3O2/c1-5-6-14-7-19(21-22(24)25-12-20(27-21)15-11-26-29(2)13-15)28-30(23(14)31)16-8-17(32-3)10-18(9-16)33-4;3-2(4,5)1(6)7/h7-13H,5-6H2,1-4H3,(H2,24,25);(H,6,7)
InChIKeyXHVWKNAAKGRERA-UHFFFAOYSA-N
XLogP3.28
TPSA160.27 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.52
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-(3,5-dimethoxyphenyl)-4-propylpyridazin-3-one;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US10208024, Example 41
CID 129057375
US10214528, Example 18
CID 122477596
US10208024, Example 40
CID 129057304
US10208024, Example 42
CID 129057306
US10208024, Example 8
CID 129057365
US10208024, Example 34
CID 129057390
US10208024, Example 35
CID 129057396
US10208024, Example 82
CID 129057405
US10208024, Example 36
CID 129066675
US10208024, Example 10
CID 129066685
US10208024, Example 5
CID 129066714
US10208024, Example 70
CID 129066755

Frequently Asked Questions

What is the IUPAC name of 6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-(3,5-dimethoxyphenyl)-4-propylpyridazin-3-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-(3,5-dimethoxyphenyl)-4-propylpyridazin-3-one;2,2,2-trifluoroacetic acid (CID 130404725) is 6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-(3,5-dimethoxyphenyl)-4-propylpyridazin-3-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-(3,5-dimethoxyphenyl)-4-propylpyridazin-3-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-(3,5-dimethoxyphenyl)-4-propylpyridazin-3-one;2,2,2-trifluoroacetic acid is CCCc1cc(-c2nc(-c3cnn(C)c3)cnc2N)nn(-c2cc(OC)cc(OC)c2)c1=O.O=C(O)C(F)(F)F.
What is the InChIKey of 6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-(3,5-dimethoxyphenyl)-4-propylpyridazin-3-one;2,2,2-trifluoroacetic acid?
The InChIKey is XHVWKNAAKGRERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O3.C2HF3O2/c1-5-6-14-7-19(21-22(24)25-12-20(27-21)15-11-26-29(2)13-15)28-30(23(14)31)16-8-17(32-3)10-18(9-16)33-4;3-2(4,5)1(6)7/h7-13H,5-6H2,1-4H3,(H2,24,25);(H,6,7).
What are the key properties of 6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-(3,5-dimethoxyphenyl)-4-propylpyridazin-3-one;2,2,2-trifluoroacetic acid?
6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-(3,5-dimethoxyphenyl)-4-propylpyridazin-3-one;2,2,2-trifluoroacetic acid has a molecular weight of 561.52 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-(3,5-dimethoxyphenyl)-4-propylpyridazin-3-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 130404725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).