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

C26H23ClN4O2S — CID 95062426

IUPAC(6R)-N-[(4-chlorophenyl)methyl]-6-methyl-5-(4-methylphenyl)-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCc1ccc(N2C(=O)c3cc(-c4cccs4)nn3C[C@]2(C)C(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C26H23ClN4O2S/c1-17-5-11-20(12-6-17)31-24(32)22-14-21(23-4-3-13-34-23)29-30(22)16-26(31,2)25(33)28-15-18-7-9-19(27)10-8-18/h3-14H,15-16H2,1-2H3,(H,28,33)/t26-/m1/s1
InChIKeyYGBQJAMDUSDAEH-AREMUKBSSA-N
MW491.02 g/mol
LogP5.31
Rot. Bonds5

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

(6R)-N-[(4-chlorophenyl)methyl]-6-methyl-5-(4-methylphenyl)-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 95062426) has the molecular formula C26H23ClN4O2S and a molecular weight of 491.02 g/mol. Its IUPAC name is (6R)-N-[(4-chlorophenyl)methyl]-6-methyl-5-(4-methylphenyl)-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name(6R)-N-[(4-chlorophenyl)methyl]-6-methyl-5-(4-methylphenyl)-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID95062426
Molecular FormulaC26H23ClN4O2S
Molecular Weight491.02 g/mol
Exact Mass490.12
IUPAC Name(6R)-N-[(4-chlorophenyl)methyl]-6-methyl-5-(4-methylphenyl)-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCc1ccc(N2C(=O)c3cc(-c4cccs4)nn3C[C@]2(C)C(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C26H23ClN4O2S/c1-17-5-11-20(12-6-17)31-24(32)22-14-21(23-4-3-13-34-23)29-30(22)16-26(31,2)25(33)28-15-18-7-9-19(27)10-8-18/h3-14H,15-16H2,1-2H3,(H,28,33)/t26-/m1/s1
InChIKeyYGBQJAMDUSDAEH-AREMUKBSSA-N
XLogP5.31
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.02
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
(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
(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
N-benzyl-5-(3,4-dimethylphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 53049318
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
(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-(4-ethylphenyl)-N-[(4-methoxyphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062361
(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
N-[(4-methoxyphenyl)methyl]-6-methyl-5-[(4-methylphenyl)methyl]-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 53049179
(6S)-N-[(4-methoxyphenyl)methyl]-6-methyl-5-[(4-methylphenyl)methyl]-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062369
(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
(6R)-5-(4-chlorophenyl)-N-cyclohexyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738556

Frequently Asked Questions

What is the IUPAC name of (6R)-N-[(4-chlorophenyl)methyl]-6-methyl-5-(4-methylphenyl)-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of (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) is (6R)-N-[(4-chlorophenyl)methyl]-6-methyl-5-(4-methylphenyl)-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for (6R)-N-[(4-chlorophenyl)methyl]-6-methyl-5-(4-methylphenyl)-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for (6R)-N-[(4-chlorophenyl)methyl]-6-methyl-5-(4-methylphenyl)-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is Cc1ccc(N2C(=O)c3cc(-c4cccs4)nn3C[C@]2(C)C(=O)NCc2ccc(Cl)cc2)cc1.
What is the InChIKey of (6R)-N-[(4-chlorophenyl)methyl]-6-methyl-5-(4-methylphenyl)-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is YGBQJAMDUSDAEH-AREMUKBSSA-N. The full InChI is InChI=1S/C26H23ClN4O2S/c1-17-5-11-20(12-6-17)31-24(32)22-14-21(23-4-3-13-34-23)29-30(22)16-26(31,2)25(33)28-15-18-7-9-19(27)10-8-18/h3-14H,15-16H2,1-2H3,(H,28,33)/t26-/m1/s1.
What are the key properties of (6R)-N-[(4-chlorophenyl)methyl]-6-methyl-5-(4-methylphenyl)-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
(6R)-N-[(4-chlorophenyl)methyl]-6-methyl-5-(4-methylphenyl)-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 491.02 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-N-[(4-chlorophenyl)methyl]-6-methyl-5-(4-methylphenyl)-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 95062426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).