bis(5-(5-methyl-3-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one);5-(6-methyl-3-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C57H54N12O6 — CID 161236114

IUPACbis(5-(5-methyl-3-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one);5-(6-methyl-3-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCc1ccc(N2CCn3nc(COc4ccccc4)cc3C2=O)cn1.Cc1cncc(N2CCn3nc(COc4ccccc4)cc3C2=O)c1.Cc1cncc(N2CCn3nc(COc4ccccc4)cc3C2=O)c1
InChIInChI=1S/3C19H18N4O2/c2*1-14-9-16(12-20-11-14)22-7-8-23-18(19(22)24)10-15(21-23)13-25-17-5-3-2-4-6-17;1-14-7-8-16(12-20-14)22-9-10-23-18(19(22)24)11-15(21-23)13-25-17-5-3-2-4-6-17/h2*2-6,9-12H,7-8,13H2,1H3;2-8,11-12H,9-10,13H2,1H3
InChIKeyUZJVSSWEQFFAIZ-UHFFFAOYSA-N
MW1003.14 g/mol
LogP8.48
Rot. Bonds12

About bis(5-(5-methyl-3-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one);5-(6-methyl-3-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

bis(5-(5-methyl-3-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one);5-(6-methyl-3-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 161236114) has the molecular formula C57H54N12O6 and a molecular weight of 1003.14 g/mol. Its IUPAC name is bis(5-(5-methyl-3-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one);5-(6-methyl-3-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Namebis(5-(5-methyl-3-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one);5-(6-methyl-3-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID161236114
Molecular FormulaC57H54N12O6
Molecular Weight1003.14 g/mol
Exact Mass1002.43
IUPAC Namebis(5-(5-methyl-3-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one);5-(6-methyl-3-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCc1ccc(N2CCn3nc(COc4ccccc4)cc3C2=O)cn1.Cc1cncc(N2CCn3nc(COc4ccccc4)cc3C2=O)c1.Cc1cncc(N2CCn3nc(COc4ccccc4)cc3C2=O)c1
InChIInChI=1S/3C19H18N4O2/c2*1-14-9-16(12-20-11-14)22-7-8-23-18(19(22)24)10-15(21-23)13-25-17-5-3-2-4-6-17;1-14-7-8-16(12-20-14)22-9-10-23-18(19(22)24)11-15(21-23)13-25-17-5-3-2-4-6-17/h2*2-6,9-12H,7-8,13H2,1H3;2-8,11-12H,9-10,13H2,1H3
InChIKeyUZJVSSWEQFFAIZ-UHFFFAOYSA-N
XLogP8.48
TPSA180.75 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001003.14
LogP ≤ 58.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze bis(5-(5-methyl-3-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one);5-(6-methyl-3-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 bis(5-(5-methyl-3-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one);5-(6-methyl-3-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of bis(5-(5-methyl-3-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one);5-(6-methyl-3-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 161236114) is bis(5-(5-methyl-3-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one);5-(6-methyl-3-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for bis(5-(5-methyl-3-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one);5-(6-methyl-3-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for bis(5-(5-methyl-3-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one);5-(6-methyl-3-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is Cc1ccc(N2CCn3nc(COc4ccccc4)cc3C2=O)cn1.Cc1cncc(N2CCn3nc(COc4ccccc4)cc3C2=O)c1.Cc1cncc(N2CCn3nc(COc4ccccc4)cc3C2=O)c1.
What is the InChIKey of bis(5-(5-methyl-3-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one);5-(6-methyl-3-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is UZJVSSWEQFFAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C19H18N4O2/c2*1-14-9-16(12-20-11-14)22-7-8-23-18(19(22)24)10-15(21-23)13-25-17-5-3-2-4-6-17;1-14-7-8-16(12-20-14)22-9-10-23-18(19(22)24)11-15(21-23)13-25-17-5-3-2-4-6-17/h2*2-6,9-12H,7-8,13H2,1H3;2-8,11-12H,9-10,13H2,1H3.
What are the key properties of bis(5-(5-methyl-3-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one);5-(6-methyl-3-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
bis(5-(5-methyl-3-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one);5-(6-methyl-3-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 1003.14 g/mol, XLogP of 8.48, 12 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-(5-methyl-3-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one);5-(6-methyl-3-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 161236114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).