5-[5-[[3-[[5-(5-fluoro-3-pyridinyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]methoxy]phenyl]methyl]-2-pyridinyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C37H31FN8O4 — CID 123461263

IUPAC5-[5-[[3-[[5-(5-fluoro-3-pyridinyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]methoxy]phenyl]methyl]-2-pyridinyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1c2cc(COc3cccc(Cc4ccc(N5CCn6nc(COc7ccccc7)cc6C5=O)nc4)c3)nn2CCN1c1cncc(F)c1
InChIInChI=1S/C37H31FN8O4/c38-27-17-30(22-39-21-27)43-11-13-45-33(36(43)47)18-29(42-45)24-50-32-8-4-5-25(16-32)15-26-9-10-35(40-20-26)44-12-14-46-34(37(44)48)19-28(41-46)23-49-31-6-2-1-3-7-31/h1-10,16-22H,11-15,23-24H2
InChIKeyWYUYDCPGPDWVEB-UHFFFAOYSA-N
MW670.71 g/mol
LogP5.08
Rot. Bonds10

About 5-[5-[[3-[[5-(5-fluoro-3-pyridinyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]methoxy]phenyl]methyl]-2-pyridinyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

5-[5-[[3-[[5-(5-fluoro-3-pyridinyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]methoxy]phenyl]methyl]-2-pyridinyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 123461263) has the molecular formula C37H31FN8O4 and a molecular weight of 670.71 g/mol. Its IUPAC name is 5-[5-[[3-[[5-(5-fluoro-3-pyridinyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]methoxy]phenyl]methyl]-2-pyridinyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[5-[[3-[[5-(5-fluoro-3-pyridinyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]methoxy]phenyl]methyl]-2-pyridinyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID123461263
Molecular FormulaC37H31FN8O4
Molecular Weight670.71 g/mol
Exact Mass670.25
IUPAC Name5-[5-[[3-[[5-(5-fluoro-3-pyridinyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]methoxy]phenyl]methyl]-2-pyridinyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1c2cc(COc3cccc(Cc4ccc(N5CCn6nc(COc7ccccc7)cc6C5=O)nc4)c3)nn2CCN1c1cncc(F)c1
InChIInChI=1S/C37H31FN8O4/c38-27-17-30(22-39-21-27)43-11-13-45-33(36(43)47)18-29(42-45)24-50-32-8-4-5-25(16-32)15-26-9-10-35(40-20-26)44-12-14-46-34(37(44)48)19-28(41-46)23-49-31-6-2-1-3-7-31/h1-10,16-22H,11-15,23-24H2
InChIKeyWYUYDCPGPDWVEB-UHFFFAOYSA-N
XLogP5.08
TPSA120.50 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.71
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 5-[5-[[3-[[5-(5-fluoro-3-pyridinyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]methoxy]phenyl]methyl]-2-pyridinyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one with MolForge

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Related Compounds

5-N-[2-[3-(fluoromethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N-(2-methoxyethyl)-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 53468453
4-N-[2-(2-fluoroethoxy)ethyl]-5-N-[2-(3-methoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 53468648
5-N-[2-[3-(2-fluoroethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N-(2-methoxyethyl)-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 87381454
4-N-[2-(2-fluoroethoxy)ethyl]-5-N-[2-[3-(2-fluoroethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 87381553
4-N-ethyl-5-N-[2-[3-(3-fluoropropoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 165414843
5-N-[2-[3-(3-fluoropropoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N-(2-methoxyethyl)-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 165414844
5-N-[2-[3-(3-fluoropropoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N,4-N,1-trimethylpyrazole-4,5-dicarboxamide
CID 165414856
5-(5-Methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67973635
5-(5-fluoropyridin-2-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one
CID 67974411
2-(Phenoxymethyl)-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67974497
2-[(3-Fluorophenoxy)methyl]-5-(5-fluoro-2-pyridinyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 70654545
US10144734, Example 389
CID 134435177

Frequently Asked Questions

What is the IUPAC name of 5-[5-[[3-[[5-(5-fluoro-3-pyridinyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]methoxy]phenyl]methyl]-2-pyridinyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[5-[[3-[[5-(5-fluoro-3-pyridinyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]methoxy]phenyl]methyl]-2-pyridinyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 123461263) is 5-[5-[[3-[[5-(5-fluoro-3-pyridinyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]methoxy]phenyl]methyl]-2-pyridinyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[5-[[3-[[5-(5-fluoro-3-pyridinyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]methoxy]phenyl]methyl]-2-pyridinyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[5-[[3-[[5-(5-fluoro-3-pyridinyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]methoxy]phenyl]methyl]-2-pyridinyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is O=C1c2cc(COc3cccc(Cc4ccc(N5CCn6nc(COc7ccccc7)cc6C5=O)nc4)c3)nn2CCN1c1cncc(F)c1.
What is the InChIKey of 5-[5-[[3-[[5-(5-fluoro-3-pyridinyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]methoxy]phenyl]methyl]-2-pyridinyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is WYUYDCPGPDWVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H31FN8O4/c38-27-17-30(22-39-21-27)43-11-13-45-33(36(43)47)18-29(42-45)24-50-32-8-4-5-25(16-32)15-26-9-10-35(40-20-26)44-12-14-46-34(37(44)48)19-28(41-46)23-49-31-6-2-1-3-7-31/h1-10,16-22H,11-15,23-24H2.
What are the key properties of 5-[5-[[3-[[5-(5-fluoro-3-pyridinyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]methoxy]phenyl]methyl]-2-pyridinyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
5-[5-[[3-[[5-(5-fluoro-3-pyridinyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]methoxy]phenyl]methyl]-2-pyridinyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 670.71 g/mol, XLogP of 5.08, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[[3-[[5-(5-fluoro-3-pyridinyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]methoxy]phenyl]methyl]-2-pyridinyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 123461263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).