(7R)-5-(4-fluorophenyl)-7-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C20H16F4N4O2 — CID 122190334

IUPAC(7R)-5-(4-fluorophenyl)-7-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESC[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3cc(C(F)(F)F)ccn3)nn21
InChIInChI=1S/C20H16F4N4O2/c1-12-10-27(16-4-2-14(21)3-5-16)19(29)17-9-15(26-28(12)17)11-30-18-8-13(6-7-25-18)20(22,23)24/h2-9,12H,10-11H2,1H3/t12-/m1/s1
InChIKeyQOLOJLRTGJOOHZ-GFCCVEGCSA-N
MW420.37 g/mol
LogP4.24
Rot. Bonds4

About (7R)-5-(4-fluorophenyl)-7-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

(7R)-5-(4-fluorophenyl)-7-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 122190334) has the molecular formula C20H16F4N4O2 and a molecular weight of 420.37 g/mol. Its IUPAC name is (7R)-5-(4-fluorophenyl)-7-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name(7R)-5-(4-fluorophenyl)-7-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID122190334
Molecular FormulaC20H16F4N4O2
Molecular Weight420.37 g/mol
Exact Mass420.12
IUPAC Name(7R)-5-(4-fluorophenyl)-7-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESC[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3cc(C(F)(F)F)ccn3)nn21
InChIInChI=1S/C20H16F4N4O2/c1-12-10-27(16-4-2-14(21)3-5-16)19(29)17-9-15(26-28(12)17)11-30-18-8-13(6-7-25-18)20(22,23)24/h2-9,12H,10-11H2,1H3/t12-/m1/s1
InChIKeyQOLOJLRTGJOOHZ-GFCCVEGCSA-N
XLogP4.24
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.37
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

VU0650786
CID 122190433
N-(2-(((1-phenyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)carbonyl)amino)ethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 46865791
6-Ethoxy-N-[2-({[1-phenyl-3-(trifluoromethyl)-1Hpyrazol-4-yl]carbonyl}amino)ethyl]pyridine-3-carboxamide
CID 46885191
5-(4-fluorophenyl)-2-(p-tolyloxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 57410027
5-(2,4-difluoro-phenyl)-2-phenoxymethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 57411802
5-(5-Methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67973635
5-(4-fluorophenyl)-2-(pyridin-2-yloxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 67973779
5-(2-Fluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67973795
5-(3,4-Difluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67973817
5-(4-Methylphenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67973913
2-[(4-Fluorophenoxy)methyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67974346
5-(5-fluoropyridin-2-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one
CID 67974411

Frequently Asked Questions

What is the IUPAC name of (7R)-5-(4-fluorophenyl)-7-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of (7R)-5-(4-fluorophenyl)-7-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 122190334) is (7R)-5-(4-fluorophenyl)-7-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for (7R)-5-(4-fluorophenyl)-7-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for (7R)-5-(4-fluorophenyl)-7-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3cc(C(F)(F)F)ccn3)nn21.
What is the InChIKey of (7R)-5-(4-fluorophenyl)-7-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is QOLOJLRTGJOOHZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H16F4N4O2/c1-12-10-27(16-4-2-14(21)3-5-16)19(29)17-9-15(26-28(12)17)11-30-18-8-13(6-7-25-18)20(22,23)24/h2-9,12H,10-11H2,1H3/t12-/m1/s1.
What are the key properties of (7R)-5-(4-fluorophenyl)-7-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
(7R)-5-(4-fluorophenyl)-7-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 420.37 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-5-(4-fluorophenyl)-7-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 122190334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).