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

C23H25ClN4O2S — CID 95062790

IUPAC(6S)-N-tert-butyl-5-(3-chloro-2-methylphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCc1c(Cl)cccc1N1C(=O)c2cc(-c3cccs3)nn2C[C@@]1(C)C(=O)NC(C)(C)C
InChIInChI=1S/C23H25ClN4O2S/c1-14-15(24)8-6-9-17(14)28-20(29)18-12-16(19-10-7-11-31-19)26-27(18)13-23(28,5)21(30)25-22(2,3)4/h6-12H,13H2,1-5H3,(H,25,30)/t23-/m0/s1
InChIKeyQOEVWOHYECMRTL-QHCPKHFHSA-N
MW457.00 g/mol
LogP4.91
Rot. Bonds3

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

(6S)-N-tert-butyl-5-(3-chloro-2-methylphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 95062790) has the molecular formula C23H25ClN4O2S and a molecular weight of 457.00 g/mol. Its IUPAC name is (6S)-N-tert-butyl-5-(3-chloro-2-methylphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name(6S)-N-tert-butyl-5-(3-chloro-2-methylphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID95062790
Molecular FormulaC23H25ClN4O2S
Molecular Weight457.00 g/mol
Exact Mass456.14
IUPAC Name(6S)-N-tert-butyl-5-(3-chloro-2-methylphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCc1c(Cl)cccc1N1C(=O)c2cc(-c3cccs3)nn2C[C@@]1(C)C(=O)NC(C)(C)C
InChIInChI=1S/C23H25ClN4O2S/c1-14-15(24)8-6-9-17(14)28-20(29)18-12-16(19-10-7-11-31-19)26-27(18)13-23(28,5)21(30)25-22(2,3)4/h6-12H,13H2,1-5H3,(H,25,30)/t23-/m0/s1
InChIKeyQOEVWOHYECMRTL-QHCPKHFHSA-N
XLogP4.91
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.00
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (6S)-N-tert-butyl-5-(3-chloro-2-methylphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide with MolForge

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Related Compounds

N-tert-butyl-6-methyl-5-(2-methylphenyl)-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 53049390
(6S)-N-tert-butyl-5-(3,4-dimethylphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062800
(6R)-N-tert-butyl-5-(3,5-dimethoxyphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062778
(6R)-5-(4-chloro-2-methylphenyl)-N-cyclopentyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062689
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
(6S)-N-cyclopentyl-5-(2-ethylphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062696
(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
(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
(6R)-5-(4-chlorophenyl)-N-cyclohexyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738556
(6R)-N-cyclopentyl-6-methyl-5-(4-methylphenyl)-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062745
(6S)-5-(2-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062390

Frequently Asked Questions

What is the IUPAC name of (6S)-N-tert-butyl-5-(3-chloro-2-methylphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of (6S)-N-tert-butyl-5-(3-chloro-2-methylphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 95062790) is (6S)-N-tert-butyl-5-(3-chloro-2-methylphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for (6S)-N-tert-butyl-5-(3-chloro-2-methylphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for (6S)-N-tert-butyl-5-(3-chloro-2-methylphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is Cc1c(Cl)cccc1N1C(=O)c2cc(-c3cccs3)nn2C[C@@]1(C)C(=O)NC(C)(C)C.
What is the InChIKey of (6S)-N-tert-butyl-5-(3-chloro-2-methylphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is QOEVWOHYECMRTL-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H25ClN4O2S/c1-14-15(24)8-6-9-17(14)28-20(29)18-12-16(19-10-7-11-31-19)26-27(18)13-23(28,5)21(30)25-22(2,3)4/h6-12H,13H2,1-5H3,(H,25,30)/t23-/m0/s1.
What are the key properties of (6S)-N-tert-butyl-5-(3-chloro-2-methylphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
(6S)-N-tert-butyl-5-(3-chloro-2-methylphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 457.00 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-tert-butyl-5-(3-chloro-2-methylphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 95062790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).