(6R)-N,5-dibenzyl-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

C28H26N4O2 — CID 92739051

IUPAC(6R)-N,5-dibenzyl-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESC[C@]1(C(=O)NCc2ccccc2)Cn2nc(-c3ccccc3)cc2C(=O)N1Cc1ccccc1
InChIInChI=1S/C28H26N4O2/c1-28(27(34)29-18-21-11-5-2-6-12-21)20-32-25(17-24(30-32)23-15-9-4-10-16-23)26(33)31(28)19-22-13-7-3-8-14-22/h2-17H,18-20H2,1H3,(H,29,34)/t28-/m1/s1
InChIKeyYNKIIRIZMSUWBW-MUUNZHRXSA-N
MW450.54 g/mol
LogP4.28
Rot. Bonds6

About (6R)-N,5-dibenzyl-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

(6R)-N,5-dibenzyl-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 92739051) has the molecular formula C28H26N4O2 and a molecular weight of 450.54 g/mol. Its IUPAC name is (6R)-N,5-dibenzyl-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name(6R)-N,5-dibenzyl-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID92739051
Molecular FormulaC28H26N4O2
Molecular Weight450.54 g/mol
Exact Mass450.21
IUPAC Name(6R)-N,5-dibenzyl-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESC[C@]1(C(=O)NCc2ccccc2)Cn2nc(-c3ccccc3)cc2C(=O)N1Cc1ccccc1
InChIInChI=1S/C28H26N4O2/c1-28(27(34)29-18-21-11-5-2-6-12-21)20-32-25(17-24(30-32)23-15-9-4-10-16-23)26(33)31(28)19-22-13-7-3-8-14-22/h2-17H,18-20H2,1H3,(H,29,34)/t28-/m1/s1
InChIKeyYNKIIRIZMSUWBW-MUUNZHRXSA-N
XLogP4.28
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,5-dibenzyl-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 50756726
N-benzyl-5-[(3,4-dimethoxyphenyl)methyl]-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 50756719
(6R)-N-benzyl-6-methyl-5-[(2-methylphenyl)methyl]-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739113
N-benzyl-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 46272682
(6R)-N-benzyl-5-[(4-ethoxyphenyl)methyl]-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739351
(6S)-N-benzyl-2-(4-methoxyphenyl)-6-methyl-5-[(4-methylsulfanylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739361
N,5-dibenzyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 53049306
(6R)-N-benzyl-5-[(2,5-dimethoxyphenyl)methyl]-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739125
(6S)-N-benzyl-5-(4-chlorophenyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739052
(6S)-5-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739195
(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
(6S)-N-benzyl-5-(3,5-dimethylphenyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739076

Frequently Asked Questions

What is the IUPAC name of (6R)-N,5-dibenzyl-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of (6R)-N,5-dibenzyl-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 92739051) is (6R)-N,5-dibenzyl-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for (6R)-N,5-dibenzyl-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for (6R)-N,5-dibenzyl-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is C[C@]1(C(=O)NCc2ccccc2)Cn2nc(-c3ccccc3)cc2C(=O)N1Cc1ccccc1.
What is the InChIKey of (6R)-N,5-dibenzyl-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is YNKIIRIZMSUWBW-MUUNZHRXSA-N. The full InChI is InChI=1S/C28H26N4O2/c1-28(27(34)29-18-21-11-5-2-6-12-21)20-32-25(17-24(30-32)23-15-9-4-10-16-23)26(33)31(28)19-22-13-7-3-8-14-22/h2-17H,18-20H2,1H3,(H,29,34)/t28-/m1/s1.
What are the key properties of (6R)-N,5-dibenzyl-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
(6R)-N,5-dibenzyl-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 450.54 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-N,5-dibenzyl-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 92739051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).