2-[2-(4-methoxyphenyl)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;2,2,2-trifluoroacetic acid

C20H17F3N4O4 — CID 69191785

IUPAC2-[2-(4-methoxyphenyl)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;2,2,2-trifluoroacetic acid
SMILESCOc1ccc(-c2cc(-c3cc4n(n3)CCNC4=O)ccn2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H16N4O2.C2HF3O2/c1-24-14-4-2-12(3-5-14)15-10-13(6-7-19-15)16-11-17-18(23)20-8-9-22(17)21-16;3-2(4,5)1(6)7/h2-7,10-11H,8-9H2,1H3,(H,20,23);(H,6,7)
InChIKeyAREDMECEPMYOKT-UHFFFAOYSA-N
MW434.37 g/mol
LogP3.00
Rot. Bonds3

About 2-[2-(4-methoxyphenyl)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;2,2,2-trifluoroacetic acid

2-[2-(4-methoxyphenyl)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;2,2,2-trifluoroacetic acid (PubChem CID 69191785) has the molecular formula C20H17F3N4O4 and a molecular weight of 434.37 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;2,2,2-trifluoroacetic acid
PubChem CID69191785
Molecular FormulaC20H17F3N4O4
Molecular Weight434.37 g/mol
Exact Mass434.12
IUPAC Name2-[2-(4-methoxyphenyl)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;2,2,2-trifluoroacetic acid
SMILESCOc1ccc(-c2cc(-c3cc4n(n3)CCNC4=O)ccn2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H16N4O2.C2HF3O2/c1-24-14-4-2-12(3-5-14)15-10-13(6-7-19-15)16-11-17-18(23)20-8-9-22(17)21-16;3-2(4,5)1(6)7/h2-7,10-11H,8-9H2,1H3,(H,20,23);(H,6,7)
InChIKeyAREDMECEPMYOKT-UHFFFAOYSA-N
XLogP3.00
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.37
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[2-(4-methoxyphenyl)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-[2-(4-methoxyphenyl)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;2,2,2-trifluoroacetic acid (CID 69191785) is 2-[2-(4-methoxyphenyl)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-[2-(4-methoxyphenyl)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;2,2,2-trifluoroacetic acid is COc1ccc(-c2cc(-c3cc4n(n3)CCNC4=O)ccn2)cc1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-[2-(4-methoxyphenyl)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;2,2,2-trifluoroacetic acid?
The InChIKey is AREDMECEPMYOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2.C2HF3O2/c1-24-14-4-2-12(3-5-14)15-10-13(6-7-19-15)16-11-17-18(23)20-8-9-22(17)21-16;3-2(4,5)1(6)7/h2-7,10-11H,8-9H2,1H3,(H,20,23);(H,6,7).
What are the key properties of 2-[2-(4-methoxyphenyl)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;2,2,2-trifluoroacetic acid?
2-[2-(4-methoxyphenyl)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;2,2,2-trifluoroacetic acid has a molecular weight of 434.37 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 69191785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).