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

C29H28N4O3 — CID 46272682

IUPACN-benzyl-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCOc1ccccc1CN1C(=O)c2cc(-c3ccccc3)nn2CC1(C)C(=O)NCc1ccccc1
InChIInChI=1S/C29H28N4O3/c1-29(28(35)30-18-21-11-5-3-6-12-21)20-33-25(17-24(31-33)22-13-7-4-8-14-22)27(34)32(29)19-23-15-9-10-16-26(23)36-2/h3-17H,18-20H2,1-2H3,(H,30,35)
InChIKeySIIAEFXPSGSWGQ-UHFFFAOYSA-N
MW480.57 g/mol
LogP4.29
Rot. Bonds7

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

N-benzyl-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 46272682) has the molecular formula C29H28N4O3 and a molecular weight of 480.57 g/mol. Its IUPAC name is N-benzyl-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID46272682
Molecular FormulaC29H28N4O3
Molecular Weight480.57 g/mol
Exact Mass480.22
IUPAC NameN-benzyl-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCOc1ccccc1CN1C(=O)c2cc(-c3ccccc3)nn2CC1(C)C(=O)NCc1ccccc1
InChIInChI=1S/C29H28N4O3/c1-29(28(35)30-18-21-11-5-3-6-12-21)20-33-25(17-24(31-33)22-13-7-4-8-14-22)27(34)32(29)19-23-15-9-10-16-26(23)36-2/h3-17H,18-20H2,1-2H3,(H,30,35)
InChIKeySIIAEFXPSGSWGQ-UHFFFAOYSA-N
XLogP4.29
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(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)-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)-5-[(2-chlorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739142
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
(6R)-N,5-dibenzyl-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739051
N,5-dibenzyl-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 50756726
(6S)-5-[(2-methoxyphenyl)methyl]-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739409
(6R)-N-benzyl-2-tert-butyl-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92740959
2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-5-[(3-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 50756596
2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-5-[(3-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 46272720
(6S)-5-(3,5-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739185

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of N-benzyl-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 46272682) is N-benzyl-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for N-benzyl-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for N-benzyl-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is COc1ccccc1CN1C(=O)c2cc(-c3ccccc3)nn2CC1(C)C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is SIIAEFXPSGSWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O3/c1-29(28(35)30-18-21-11-5-3-6-12-21)20-33-25(17-24(31-33)22-13-7-4-8-14-22)27(34)32(29)19-23-15-9-10-16-26(23)36-2/h3-17H,18-20H2,1-2H3,(H,30,35).
What are the key properties of N-benzyl-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
N-benzyl-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 480.57 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 46272682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).