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

C36H30N8O4 — CID 123183945

IUPAC5-[2-[3-[(4-oxo-5-pyridin-3-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl)methoxy]phenyl]-4-pyridinyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1c2cc(COc3cccc(-c4cc(N5CCn6nc(COc7ccccc7)cc6C5=O)ccn4)c3)nn2CCN1c1cccnc1
InChIInChI=1S/C36H30N8O4/c45-35-33-19-26(23-47-30-8-2-1-3-9-30)39-43(33)16-14-41(35)28-11-13-38-32(21-28)25-6-4-10-31(18-25)48-24-27-20-34-36(46)42(15-17-44(34)40-27)29-7-5-12-37-22-29/h1-13,18-22H,14-17,23-24H2
InChIKeyMHOYVANXRNBFPL-UHFFFAOYSA-N
MW638.69 g/mol
LogP5.02
Rot. Bonds9

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

5-[2-[3-[(4-oxo-5-pyridin-3-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl)methoxy]phenyl]-4-pyridinyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 123183945) has the molecular formula C36H30N8O4 and a molecular weight of 638.69 g/mol. Its IUPAC name is 5-[2-[3-[(4-oxo-5-pyridin-3-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl)methoxy]phenyl]-4-pyridinyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[2-[3-[(4-oxo-5-pyridin-3-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl)methoxy]phenyl]-4-pyridinyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID123183945
Molecular FormulaC36H30N8O4
Molecular Weight638.69 g/mol
Exact Mass638.24
IUPAC Name5-[2-[3-[(4-oxo-5-pyridin-3-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl)methoxy]phenyl]-4-pyridinyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1c2cc(COc3cccc(-c4cc(N5CCn6nc(COc7ccccc7)cc6C5=O)ccn4)c3)nn2CCN1c1cccnc1
InChIInChI=1S/C36H30N8O4/c45-35-33-19-26(23-47-30-8-2-1-3-9-30)39-43(33)16-14-41(35)28-11-13-38-32(21-28)25-6-4-10-31(18-25)48-24-27-20-34-36(46)42(15-17-44(34)40-27)29-7-5-12-37-22-29/h1-13,18-22H,14-17,23-24H2
InChIKeyMHOYVANXRNBFPL-UHFFFAOYSA-N
XLogP5.02
TPSA120.50 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.69
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-[(4-oxo-5-pyridin-3-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl)methoxy]phenyl]-4-pyridinyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[2-[3-[(4-oxo-5-pyridin-3-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl)methoxy]phenyl]-4-pyridinyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 123183945) is 5-[2-[3-[(4-oxo-5-pyridin-3-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl)methoxy]phenyl]-4-pyridinyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[2-[3-[(4-oxo-5-pyridin-3-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl)methoxy]phenyl]-4-pyridinyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[2-[3-[(4-oxo-5-pyridin-3-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl)methoxy]phenyl]-4-pyridinyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is O=C1c2cc(COc3cccc(-c4cc(N5CCn6nc(COc7ccccc7)cc6C5=O)ccn4)c3)nn2CCN1c1cccnc1.
What is the InChIKey of 5-[2-[3-[(4-oxo-5-pyridin-3-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl)methoxy]phenyl]-4-pyridinyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is MHOYVANXRNBFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30N8O4/c45-35-33-19-26(23-47-30-8-2-1-3-9-30)39-43(33)16-14-41(35)28-11-13-38-32(21-28)25-6-4-10-31(18-25)48-24-27-20-34-36(46)42(15-17-44(34)40-27)29-7-5-12-37-22-29/h1-13,18-22H,14-17,23-24H2.
What are the key properties of 5-[2-[3-[(4-oxo-5-pyridin-3-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl)methoxy]phenyl]-4-pyridinyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
5-[2-[3-[(4-oxo-5-pyridin-3-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl)methoxy]phenyl]-4-pyridinyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 638.69 g/mol, XLogP of 5.02, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-[(4-oxo-5-pyridin-3-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl)methoxy]phenyl]-4-pyridinyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 123183945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).