(6R)-6-N-cycloheptyl-2-N-(4-ethylphenyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

C25H33N5O3 — CID 92743519

IUPAC(6R)-6-N-cycloheptyl-2-N-(4-ethylphenyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCCc1ccc(NC(=O)c2cc3n(n2)C[C@](C)(C(=O)NC2CCCCCC2)N(C)C3=O)cc1
InChIInChI=1S/C25H33N5O3/c1-4-17-11-13-19(14-12-17)26-22(31)20-15-21-23(32)29(3)25(2,16-30(21)28-20)24(33)27-18-9-7-5-6-8-10-18/h11-15,18H,4-10,16H2,1-3H3,(H,26,31)(H,27,33)/t25-/m1/s1
InChIKeyZHTKBLJUSASMCR-RUZDIDTESA-N
MW451.57 g/mol
LogP3.38
Rot. Bonds5

About (6R)-6-N-cycloheptyl-2-N-(4-ethylphenyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

(6R)-6-N-cycloheptyl-2-N-(4-ethylphenyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (PubChem CID 92743519) has the molecular formula C25H33N5O3 and a molecular weight of 451.57 g/mol. Its IUPAC name is (6R)-6-N-cycloheptyl-2-N-(4-ethylphenyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.

Molecular Properties

Compound Name(6R)-6-N-cycloheptyl-2-N-(4-ethylphenyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
PubChem CID92743519
Molecular FormulaC25H33N5O3
Molecular Weight451.57 g/mol
Exact Mass451.26
IUPAC Name(6R)-6-N-cycloheptyl-2-N-(4-ethylphenyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCCc1ccc(NC(=O)c2cc3n(n2)C[C@](C)(C(=O)NC2CCCCCC2)N(C)C3=O)cc1
InChIInChI=1S/C25H33N5O3/c1-4-17-11-13-19(14-12-17)26-22(31)20-15-21-23(32)29(3)25(2,16-30(21)28-20)24(33)27-18-9-7-5-6-8-10-18/h11-15,18H,4-10,16H2,1-3H3,(H,26,31)(H,27,33)/t25-/m1/s1
InChIKeyZHTKBLJUSASMCR-RUZDIDTESA-N
XLogP3.38
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (6R)-6-N-cycloheptyl-2-N-(4-ethylphenyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide with MolForge

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Related Compounds

(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
(6S)-5-butyl-6-N-cyclopentyl-6-methyl-2-N-(4-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92744516
2-N-[(4-chlorophenyl)methyl]-6-N-cycloheptyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 50758464
6-N-cyclohexyl-5,6-dimethyl-4-oxo-2-N-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 20919434
(6S)-2-N-[(2R)-butan-2-yl]-6-N-cycloheptyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743501
(6S)-6-N-cyclohexyl-5,6-dimethyl-2-N-(3-methylsulfanylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743381
5-butyl-6-N-cyclopentyl-2-N-(3-ethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 50758772
(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

Frequently Asked Questions

What is the IUPAC name of (6R)-6-N-cycloheptyl-2-N-(4-ethylphenyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The IUPAC name of (6R)-6-N-cycloheptyl-2-N-(4-ethylphenyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (CID 92743519) is (6R)-6-N-cycloheptyl-2-N-(4-ethylphenyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.
What is the SMILES notation for (6R)-6-N-cycloheptyl-2-N-(4-ethylphenyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The canonical SMILES for (6R)-6-N-cycloheptyl-2-N-(4-ethylphenyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is CCc1ccc(NC(=O)c2cc3n(n2)C[C@](C)(C(=O)NC2CCCCCC2)N(C)C3=O)cc1.
What is the InChIKey of (6R)-6-N-cycloheptyl-2-N-(4-ethylphenyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The InChIKey is ZHTKBLJUSASMCR-RUZDIDTESA-N. The full InChI is InChI=1S/C25H33N5O3/c1-4-17-11-13-19(14-12-17)26-22(31)20-15-21-23(32)29(3)25(2,16-30(21)28-20)24(33)27-18-9-7-5-6-8-10-18/h11-15,18H,4-10,16H2,1-3H3,(H,26,31)(H,27,33)/t25-/m1/s1.
What are the key properties of (6R)-6-N-cycloheptyl-2-N-(4-ethylphenyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
(6R)-6-N-cycloheptyl-2-N-(4-ethylphenyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide has a molecular weight of 451.57 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-N-cycloheptyl-2-N-(4-ethylphenyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is sourced from PubChem (CID 92743519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).