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

C26H23FN4O2S — CID 95062573

IUPAC(6R)-5-(3-fluorophenyl)-6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCc1ccc(CNC(=O)[C@@]2(C)Cn3nc(-c4cccs4)cc3C(=O)N2c2cccc(F)c2)cc1
InChIInChI=1S/C26H23FN4O2S/c1-17-8-10-18(11-9-17)15-28-25(33)26(2)16-30-22(14-21(29-30)23-7-4-12-34-23)24(32)31(26)20-6-3-5-19(27)13-20/h3-14H,15-16H2,1-2H3,(H,28,33)/t26-/m1/s1
InChIKeyUNINYXPYKAYXSP-AREMUKBSSA-N
MW474.56 g/mol
LogP4.79
Rot. Bonds5

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

(6R)-5-(3-fluorophenyl)-6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 95062573) has the molecular formula C26H23FN4O2S and a molecular weight of 474.56 g/mol. Its IUPAC name is (6R)-5-(3-fluorophenyl)-6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name(6R)-5-(3-fluorophenyl)-6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID95062573
Molecular FormulaC26H23FN4O2S
Molecular Weight474.56 g/mol
Exact Mass474.15
IUPAC Name(6R)-5-(3-fluorophenyl)-6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCc1ccc(CNC(=O)[C@@]2(C)Cn3nc(-c4cccs4)cc3C(=O)N2c2cccc(F)c2)cc1
InChIInChI=1S/C26H23FN4O2S/c1-17-8-10-18(11-9-17)15-28-25(33)26(2)16-30-22(14-21(29-30)23-7-4-12-34-23)24(32)31(26)20-6-3-5-19(27)13-20/h3-14H,15-16H2,1-2H3,(H,28,33)/t26-/m1/s1
InChIKeyUNINYXPYKAYXSP-AREMUKBSSA-N
XLogP4.79
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 53049255
(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-[(4-chlorophenyl)methyl]-6-methyl-5-(4-methylphenyl)-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062426
5-(3-ethylphenyl)-6-methyl-N-[(3-methylphenyl)methyl]-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 53049234
N-benzyl-5-(3,4-dimethylphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 53049318
(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
(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-(3,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062381
(6S)-5-(5-chloro-2-methylphenyl)-6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062562
5-(5-chloro-2-methylphenyl)-6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 53049275
(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
(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

Frequently Asked Questions

What is the IUPAC name of (6R)-5-(3-fluorophenyl)-6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of (6R)-5-(3-fluorophenyl)-6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 95062573) is (6R)-5-(3-fluorophenyl)-6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for (6R)-5-(3-fluorophenyl)-6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for (6R)-5-(3-fluorophenyl)-6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is Cc1ccc(CNC(=O)[C@@]2(C)Cn3nc(-c4cccs4)cc3C(=O)N2c2cccc(F)c2)cc1.
What is the InChIKey of (6R)-5-(3-fluorophenyl)-6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is UNINYXPYKAYXSP-AREMUKBSSA-N. The full InChI is InChI=1S/C26H23FN4O2S/c1-17-8-10-18(11-9-17)15-28-25(33)26(2)16-30-22(14-21(29-30)23-7-4-12-34-23)24(32)31(26)20-6-3-5-19(27)13-20/h3-14H,15-16H2,1-2H3,(H,28,33)/t26-/m1/s1.
What are the key properties of (6R)-5-(3-fluorophenyl)-6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
(6R)-5-(3-fluorophenyl)-6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 474.56 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-5-(3-fluorophenyl)-6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 95062573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).