5-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

C28H25FN4O3 — CID 50756630

IUPAC5-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCOc1ccccc1CNC(=O)C1(C)Cn2nc(-c3ccccc3)cc2C(=O)N1c1cccc(F)c1
InChIInChI=1S/C28H25FN4O3/c1-28(27(35)30-17-20-11-6-7-14-25(20)36-2)18-32-24(16-23(31-32)19-9-4-3-5-10-19)26(34)33(28)22-13-8-12-21(29)15-22/h3-16H,17-18H2,1-2H3,(H,30,35)
InChIKeyYVGHIVOAEMUYMY-UHFFFAOYSA-N
MW484.53 g/mol
LogP4.43
Rot. Bonds6

About 5-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

5-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 50756630) has the molecular formula C28H25FN4O3 and a molecular weight of 484.53 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name5-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID50756630
Molecular FormulaC28H25FN4O3
Molecular Weight484.53 g/mol
Exact Mass484.19
IUPAC Name5-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCOc1ccccc1CNC(=O)C1(C)Cn2nc(-c3ccccc3)cc2C(=O)N1c1cccc(F)c1
InChIInChI=1S/C28H25FN4O3/c1-28(27(35)30-17-20-11-6-7-14-25(20)36-2)18-32-24(16-23(31-32)19-9-4-3-5-10-19)26(34)33(28)22-13-8-12-21(29)15-22/h3-16H,17-18H2,1-2H3,(H,30,35)
InChIKeyYVGHIVOAEMUYMY-UHFFFAOYSA-N
XLogP4.43
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.53
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(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
(6R)-5-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739152
(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
(6S)-5-(2,4-difluorophenyl)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 98269233
5-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 50756671
(6S)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-5-(4-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739267
N-benzyl-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 46272682
(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
(6S)-5-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 98269243
5-(3-chloro-4-methylphenyl)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 22522459
(6R)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739238
(6S)-5-(2,3-dimethylphenyl)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739229

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of 5-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 50756630) is 5-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for 5-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for 5-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is COc1ccccc1CNC(=O)C1(C)Cn2nc(-c3ccccc3)cc2C(=O)N1c1cccc(F)c1.
What is the InChIKey of 5-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is YVGHIVOAEMUYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN4O3/c1-28(27(35)30-17-20-11-6-7-14-25(20)36-2)18-32-24(16-23(31-32)19-9-4-3-5-10-19)26(34)33(28)22-13-8-12-21(29)15-22/h3-16H,17-18H2,1-2H3,(H,30,35).
What are the key properties of 5-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
5-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 484.53 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 50756630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).