6-methyl-5-[(2-methylphenyl)methyl]-N-[(3-methylphenyl)methyl]-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

C28H28N4O2S — CID 53049238

IUPAC6-methyl-5-[(2-methylphenyl)methyl]-N-[(3-methylphenyl)methyl]-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCc1cccc(CNC(=O)C2(C)Cn3nc(-c4cccs4)cc3C(=O)N2Cc2ccccc2C)c1
InChIInChI=1S/C28H28N4O2S/c1-19-8-6-10-21(14-19)16-29-27(34)28(3)18-32-24(15-23(30-32)25-12-7-13-35-25)26(33)31(28)17-22-11-5-4-9-20(22)2/h4-15H,16-18H2,1-3H3,(H,29,34)
InChIKeyOAKZCEABODFUOR-UHFFFAOYSA-N
MW484.63 g/mol
LogP4.96
Rot. Bonds6

About 6-methyl-5-[(2-methylphenyl)methyl]-N-[(3-methylphenyl)methyl]-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

6-methyl-5-[(2-methylphenyl)methyl]-N-[(3-methylphenyl)methyl]-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 53049238) has the molecular formula C28H28N4O2S and a molecular weight of 484.63 g/mol. Its IUPAC name is 6-methyl-5-[(2-methylphenyl)methyl]-N-[(3-methylphenyl)methyl]-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name6-methyl-5-[(2-methylphenyl)methyl]-N-[(3-methylphenyl)methyl]-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID53049238
Molecular FormulaC28H28N4O2S
Molecular Weight484.63 g/mol
Exact Mass484.19
IUPAC Name6-methyl-5-[(2-methylphenyl)methyl]-N-[(3-methylphenyl)methyl]-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCc1cccc(CNC(=O)C2(C)Cn3nc(-c4cccs4)cc3C(=O)N2Cc2ccccc2C)c1
InChIInChI=1S/C28H28N4O2S/c1-19-8-6-10-21(14-19)16-29-27(34)28(3)18-32-24(15-23(30-32)25-12-7-13-35-25)26(33)31(28)17-22-11-5-4-9-20(22)2/h4-15H,16-18H2,1-3H3,(H,29,34)
InChIKeyOAKZCEABODFUOR-UHFFFAOYSA-N
XLogP4.96
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.63
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6R)-N-[(4-fluorophenyl)methyl]-6-methyl-5-[(2-methylphenyl)methyl]-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062539
(6S)-5-[(4-chlorophenyl)methyl]-6-methyl-N-[(3-methylphenyl)methyl]-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062441
(6S)-5-[(3-chlorophenyl)methyl]-6-methyl-N-[(3-methylphenyl)methyl]-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062429
5-[(3-chlorophenyl)methyl]-6-methyl-N-[(3-methylphenyl)methyl]-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 53049209
(6R)-N-[(4-fluorophenyl)methyl]-6-methyl-5-[(3-methylphenyl)methyl]-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062521
N,5-dibenzyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 53049306
(6S)-5-[(2-fluorophenyl)methyl]-6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062610
(6S)-5-(2,5-dimethylphenyl)-6-methyl-N-[(3-methylphenyl)methyl]-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062464
(6R)-5-(3,4-dimethylphenyl)-6-methyl-N-[(3-methylphenyl)methyl]-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062471
(6R)-5-[(3-fluorophenyl)methyl]-6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062615
(6R)-N-benzyl-5-[(4-ethylphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062675
(6R)-N-benzyl-6-methyl-5-[(2-methylphenyl)methyl]-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739113

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[(2-methylphenyl)methyl]-N-[(3-methylphenyl)methyl]-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of 6-methyl-5-[(2-methylphenyl)methyl]-N-[(3-methylphenyl)methyl]-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 53049238) is 6-methyl-5-[(2-methylphenyl)methyl]-N-[(3-methylphenyl)methyl]-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for 6-methyl-5-[(2-methylphenyl)methyl]-N-[(3-methylphenyl)methyl]-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for 6-methyl-5-[(2-methylphenyl)methyl]-N-[(3-methylphenyl)methyl]-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is Cc1cccc(CNC(=O)C2(C)Cn3nc(-c4cccs4)cc3C(=O)N2Cc2ccccc2C)c1.
What is the InChIKey of 6-methyl-5-[(2-methylphenyl)methyl]-N-[(3-methylphenyl)methyl]-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is OAKZCEABODFUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O2S/c1-19-8-6-10-21(14-19)16-29-27(34)28(3)18-32-24(15-23(30-32)25-12-7-13-35-25)26(33)31(28)17-22-11-5-4-9-20(22)2/h4-15H,16-18H2,1-3H3,(H,29,34).
What are the key properties of 6-methyl-5-[(2-methylphenyl)methyl]-N-[(3-methylphenyl)methyl]-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
6-methyl-5-[(2-methylphenyl)methyl]-N-[(3-methylphenyl)methyl]-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 484.63 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[(2-methylphenyl)methyl]-N-[(3-methylphenyl)methyl]-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 53049238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).