(6S)-6-N-cyclohexyl-5,6-dimethyl-2-N-(3-methylsulfanylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

C23H29N5O3S — CID 92743381

IUPAC(6S)-6-N-cyclohexyl-5,6-dimethyl-2-N-(3-methylsulfanylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCSc1cccc(NC(=O)c2cc3n(n2)C[C@@](C)(C(=O)NC2CCCCC2)N(C)C3=O)c1
InChIInChI=1S/C23H29N5O3S/c1-23(22(31)25-15-8-5-4-6-9-15)14-28-19(21(30)27(23)2)13-18(26-28)20(29)24-16-10-7-11-17(12-16)32-3/h7,10-13,15H,4-6,8-9,14H2,1-3H3,(H,24,29)(H,25,31)/t23-/m0/s1
InChIKeyBBJWYUBXKJDWRU-QHCPKHFHSA-N
MW455.58 g/mol
LogP3.15
Rot. Bonds5

About (6S)-6-N-cyclohexyl-5,6-dimethyl-2-N-(3-methylsulfanylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

(6S)-6-N-cyclohexyl-5,6-dimethyl-2-N-(3-methylsulfanylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (PubChem CID 92743381) has the molecular formula C23H29N5O3S and a molecular weight of 455.58 g/mol. Its IUPAC name is (6S)-6-N-cyclohexyl-5,6-dimethyl-2-N-(3-methylsulfanylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.

Molecular Properties

Compound Name(6S)-6-N-cyclohexyl-5,6-dimethyl-2-N-(3-methylsulfanylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
PubChem CID92743381
Molecular FormulaC23H29N5O3S
Molecular Weight455.58 g/mol
Exact Mass455.20
IUPAC Name(6S)-6-N-cyclohexyl-5,6-dimethyl-2-N-(3-methylsulfanylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCSc1cccc(NC(=O)c2cc3n(n2)C[C@@](C)(C(=O)NC2CCCCC2)N(C)C3=O)c1
InChIInChI=1S/C23H29N5O3S/c1-23(22(31)25-15-8-5-4-6-9-15)14-28-19(21(30)27(23)2)13-18(26-28)20(29)24-16-10-7-11-17(12-16)32-3/h7,10-13,15H,4-6,8-9,14H2,1-3H3,(H,24,29)(H,25,31)/t23-/m0/s1
InChIKeyBBJWYUBXKJDWRU-QHCPKHFHSA-N
XLogP3.15
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (6S)-6-N-cyclohexyl-5,6-dimethyl-2-N-(3-methylsulfanylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6R)-5-butyl-6-N-cyclopentyl-6-methyl-2-N-(3-methylsulfanylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92744493
(6R)-2-N-cycloheptyl-6-N-cyclohexyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743317
6-N-cycloheptyl-2-N-cyclohexyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 50758545
(6R)-6-N-cycloheptyl-2-N-(4-ethylphenyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743519
6-N-cyclohexyl-5,6-dimethyl-4-oxo-2-N-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 20919434
(6R)-6-N-cycloheptyl-5,6-dimethyl-2-N-(4-methylcyclohexyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743571
(6S)-6-N-cycloheptyl-5,6-dimethyl-2-N-(4-methylcyclohexyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743572
6-N-cycloheptyl-5,6-dimethyl-2-N-(4-methylcyclohexyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 50758478
(6R)-6-N-cyclohexyl-2-N-(4-fluoro-2-methylphenyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743417
(6S)-2-N-(2-chloro-4-methylphenyl)-6-N-cycloheptyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743537
5-butyl-6-N-cyclopentyl-2-N-(3-ethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 50758772
6-N-cyclohexyl-2-N-[(3-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 50758462

Frequently Asked Questions

What is the IUPAC name of (6S)-6-N-cyclohexyl-5,6-dimethyl-2-N-(3-methylsulfanylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The IUPAC name of (6S)-6-N-cyclohexyl-5,6-dimethyl-2-N-(3-methylsulfanylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (CID 92743381) is (6S)-6-N-cyclohexyl-5,6-dimethyl-2-N-(3-methylsulfanylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.
What is the SMILES notation for (6S)-6-N-cyclohexyl-5,6-dimethyl-2-N-(3-methylsulfanylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The canonical SMILES for (6S)-6-N-cyclohexyl-5,6-dimethyl-2-N-(3-methylsulfanylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is CSc1cccc(NC(=O)c2cc3n(n2)C[C@@](C)(C(=O)NC2CCCCC2)N(C)C3=O)c1.
What is the InChIKey of (6S)-6-N-cyclohexyl-5,6-dimethyl-2-N-(3-methylsulfanylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The InChIKey is BBJWYUBXKJDWRU-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H29N5O3S/c1-23(22(31)25-15-8-5-4-6-9-15)14-28-19(21(30)27(23)2)13-18(26-28)20(29)24-16-10-7-11-17(12-16)32-3/h7,10-13,15H,4-6,8-9,14H2,1-3H3,(H,24,29)(H,25,31)/t23-/m0/s1.
What are the key properties of (6S)-6-N-cyclohexyl-5,6-dimethyl-2-N-(3-methylsulfanylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
(6S)-6-N-cyclohexyl-5,6-dimethyl-2-N-(3-methylsulfanylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide has a molecular weight of 455.58 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-N-cyclohexyl-5,6-dimethyl-2-N-(3-methylsulfanylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is sourced from PubChem (CID 92743381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).