(7R)-5-(2,3-difluorophenyl)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C19H15F3N4O2 — CID 122190400

IUPAC(7R)-5-(2,3-difluorophenyl)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESC[C@@H]1CN(c2cccc(F)c2F)C(=O)c2cc(COc3ccc(F)cn3)nn21
InChIInChI=1S/C19H15F3N4O2/c1-11-9-25(15-4-2-3-14(21)18(15)22)19(27)16-7-13(24-26(11)16)10-28-17-6-5-12(20)8-23-17/h2-8,11H,9-10H2,1H3/t11-/m1/s1
InChIKeyPEEXJDXBNCPWGK-LLVKDONJSA-N
MW388.35 g/mol
LogP3.50
Rot. Bonds4

About (7R)-5-(2,3-difluorophenyl)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

(7R)-5-(2,3-difluorophenyl)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 122190400) has the molecular formula C19H15F3N4O2 and a molecular weight of 388.35 g/mol. Its IUPAC name is (7R)-5-(2,3-difluorophenyl)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name(7R)-5-(2,3-difluorophenyl)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID122190400
Molecular FormulaC19H15F3N4O2
Molecular Weight388.35 g/mol
Exact Mass388.11
IUPAC Name(7R)-5-(2,3-difluorophenyl)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESC[C@@H]1CN(c2cccc(F)c2F)C(=O)c2cc(COc3ccc(F)cn3)nn21
InChIInChI=1S/C19H15F3N4O2/c1-11-9-25(15-4-2-3-14(21)18(15)22)19(27)16-7-13(24-26(11)16)10-28-17-6-5-12(20)8-23-17/h2-8,11H,9-10H2,1H3/t11-/m1/s1
InChIKeyPEEXJDXBNCPWGK-LLVKDONJSA-N
XLogP3.50
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (7R)-5-(2,3-difluorophenyl)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one with MolForge

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Launch Full Analysis

Related Compounds

VU0650786
CID 122190433
N-[4-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 137635364
N-[4-[4-[2-(2-(18F)fluoroethoxy)phenyl]piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 137649435
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-Methoxyphenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67974041
2-[(4-Fluorophenoxy)methyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67974346
5-(5-Methoxy-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67974348
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-(2,3-difluorophenyl)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of (7R)-5-(2,3-difluorophenyl)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 122190400) is (7R)-5-(2,3-difluorophenyl)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for (7R)-5-(2,3-difluorophenyl)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for (7R)-5-(2,3-difluorophenyl)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is C[C@@H]1CN(c2cccc(F)c2F)C(=O)c2cc(COc3ccc(F)cn3)nn21.
What is the InChIKey of (7R)-5-(2,3-difluorophenyl)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is PEEXJDXBNCPWGK-LLVKDONJSA-N. The full InChI is InChI=1S/C19H15F3N4O2/c1-11-9-25(15-4-2-3-14(21)18(15)22)19(27)16-7-13(24-26(11)16)10-28-17-6-5-12(20)8-23-17/h2-8,11H,9-10H2,1H3/t11-/m1/s1.
What are the key properties of (7R)-5-(2,3-difluorophenyl)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
(7R)-5-(2,3-difluorophenyl)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 388.35 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-5-(2,3-difluorophenyl)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 122190400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).