(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

C28H28N4O2S — CID 95062464

IUPAC(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
SMILESCc1cccc(CNC(=O)[C@]2(C)Cn3nc(-c4cccs4)cc3C(=O)N2c2cc(C)ccc2C)c1
InChIInChI=1S/C28H28N4O2S/c1-18-7-5-8-21(13-18)16-29-27(34)28(4)17-31-24(15-22(30-31)25-9-6-12-35-25)26(33)32(28)23-14-19(2)10-11-20(23)3/h5-15H,16-17H2,1-4H3,(H,29,34)/t28-/m0/s1
InChIKeyUEZUKFLQKBSDOI-NDEPHWFRSA-N
MW484.63 g/mol
LogP5.27
Rot. Bonds5

About (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

(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 (PubChem CID 95062464) has the molecular formula C28H28N4O2S and a molecular weight of 484.63 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID95062464
Molecular FormulaC28H28N4O2S
Molecular Weight484.63 g/mol
Exact Mass484.19
IUPAC Name(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
SMILESCc1cccc(CNC(=O)[C@]2(C)Cn3nc(-c4cccs4)cc3C(=O)N2c2cc(C)ccc2C)c1
InChIInChI=1S/C28H28N4O2S/c1-18-7-5-8-21(13-18)16-29-27(34)28(4)17-31-24(15-22(30-31)25-9-6-12-35-25)26(33)32(28)23-14-19(2)10-11-20(23)3/h5-15H,16-17H2,1-4H3,(H,29,34)/t28-/m0/s1
InChIKeyUEZUKFLQKBSDOI-NDEPHWFRSA-N
XLogP5.27
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.63
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (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 with MolForge

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Related Compounds

(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
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
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
(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
6-methyl-5-[(2-methylphenyl)methyl]-N-[(3-methylphenyl)methyl]-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 53049238
N-benzyl-5-(3,4-dimethylphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 53049318
(6S)-5-[(3-chlorophenyl)methyl]-6-methyl-N-[(3-methylphenyl)methyl]-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062429
5-[(3-chlorophenyl)methyl]-6-methyl-N-[(3-methylphenyl)methyl]-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 53049209
(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
(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
(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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1cccc(CNC(=O)[C@]2(C)Cn3nc(-c4cccs4)cc3C(=O)N2c2cc(C)ccc2C)c1.
What is the InChIKey of (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?
The InChIKey is UEZUKFLQKBSDOI-NDEPHWFRSA-N. The full InChI is InChI=1S/C28H28N4O2S/c1-18-7-5-8-21(13-18)16-29-27(34)28(4)17-31-24(15-22(30-31)25-9-6-12-35-25)26(33)32(28)23-14-19(2)10-11-20(23)3/h5-15H,16-17H2,1-4H3,(H,29,34)/t28-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 484.63 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 95062464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).