5-[(2-methoxyphenyl)methyl]-4-oxo-N-[(4-phenylphenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide

C28H26N4O3 — CID 46169943

IUPAC5-[(2-methoxyphenyl)methyl]-4-oxo-N-[(4-phenylphenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCOc1ccccc1CN1CCn2nc(C(=O)NCc3ccc(-c4ccccc4)cc3)cc2C1=O
InChIInChI=1S/C28H26N4O3/c1-35-26-10-6-5-9-23(26)19-31-15-16-32-25(28(31)34)17-24(30-32)27(33)29-18-20-11-13-22(14-12-20)21-7-3-2-4-8-21/h2-14,17H,15-16,18-19H2,1H3,(H,29,33)
InChIKeyOEBAGQDYPMYPRF-UHFFFAOYSA-N
MW466.54 g/mol
LogP4.14
Rot. Bonds7

About 5-[(2-methoxyphenyl)methyl]-4-oxo-N-[(4-phenylphenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide

5-[(2-methoxyphenyl)methyl]-4-oxo-N-[(4-phenylphenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 46169943) has the molecular formula C28H26N4O3 and a molecular weight of 466.54 g/mol. Its IUPAC name is 5-[(2-methoxyphenyl)methyl]-4-oxo-N-[(4-phenylphenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(2-methoxyphenyl)methyl]-4-oxo-N-[(4-phenylphenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID46169943
Molecular FormulaC28H26N4O3
Molecular Weight466.54 g/mol
Exact Mass466.20
IUPAC Name5-[(2-methoxyphenyl)methyl]-4-oxo-N-[(4-phenylphenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCOc1ccccc1CN1CCn2nc(C(=O)NCc3ccc(-c4ccccc4)cc3)cc2C1=O
InChIInChI=1S/C28H26N4O3/c1-35-26-10-6-5-9-23(26)19-31-15-16-32-25(28(31)34)17-24(30-32)27(33)29-18-20-11-13-22(14-12-20)21-7-3-2-4-8-21/h2-14,17H,15-16,18-19H2,1H3,(H,29,33)
InChIKeyOEBAGQDYPMYPRF-UHFFFAOYSA-N
XLogP4.14
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-5-[(2-methoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46077529
5-[(3-methoxyphenyl)methyl]-4-oxo-N-[(4-phenylphenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46078774
5-[(2-methoxyphenyl)methyl]-4-oxo-N-(pyridin-2-ylmethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46077535
N-[(2-methoxyphenyl)methyl]-5-[(3-methylphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 53034572
6-N-benzyl-2-N-[(2-methoxyphenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 46278898
5-[(3-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 53034534
5-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 24716003
5-[(2-fluorophenyl)methyl]-N-[(3-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 42876400
6-N-benzyl-2-N-[2-(2-methoxyphenyl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 46278935
N-benzyl-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 46272682
N-[(3,4-dimethoxyphenyl)methyl]-5-[(3-fluorophenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 53086365
5-[(3-methylphenyl)methyl]-N-[(4-methylphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 53034560

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyphenyl)methyl]-4-oxo-N-[(4-phenylphenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of 5-[(2-methoxyphenyl)methyl]-4-oxo-N-[(4-phenylphenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide (CID 46169943) is 5-[(2-methoxyphenyl)methyl]-4-oxo-N-[(4-phenylphenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for 5-[(2-methoxyphenyl)methyl]-4-oxo-N-[(4-phenylphenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for 5-[(2-methoxyphenyl)methyl]-4-oxo-N-[(4-phenylphenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide is COc1ccccc1CN1CCn2nc(C(=O)NCc3ccc(-c4ccccc4)cc3)cc2C1=O.
What is the InChIKey of 5-[(2-methoxyphenyl)methyl]-4-oxo-N-[(4-phenylphenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is OEBAGQDYPMYPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O3/c1-35-26-10-6-5-9-23(26)19-31-15-16-32-25(28(31)34)17-24(30-32)27(33)29-18-20-11-13-22(14-12-20)21-7-3-2-4-8-21/h2-14,17H,15-16,18-19H2,1H3,(H,29,33).
What are the key properties of 5-[(2-methoxyphenyl)methyl]-4-oxo-N-[(4-phenylphenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
5-[(2-methoxyphenyl)methyl]-4-oxo-N-[(4-phenylphenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 466.54 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyphenyl)methyl]-4-oxo-N-[(4-phenylphenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 46169943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).