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

C26H35N5O3 — CID 46278778

IUPAC6-N-cyclohexyl-5,6-dimethyl-4-oxo-2-N-(4-phenylbutan-2-yl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCC(CCc1ccccc1)NC(=O)c1cc2n(n1)CC(C)(C(=O)NC1CCCCC1)N(C)C2=O
InChIInChI=1S/C26H35N5O3/c1-18(14-15-19-10-6-4-7-11-19)27-23(32)21-16-22-24(33)30(3)26(2,17-31(22)29-21)25(34)28-20-12-8-5-9-13-20/h4,6-7,10-11,16,18,20H,5,8-9,12-15,17H2,1-3H3,(H,27,32)(H,28,34)
InChIKeyREHNVBVBNWUIPM-UHFFFAOYSA-N
MW465.60 g/mol
LogP2.93
Rot. Bonds7

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

6-N-cyclohexyl-5,6-dimethyl-4-oxo-2-N-(4-phenylbutan-2-yl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (PubChem CID 46278778) has the molecular formula C26H35N5O3 and a molecular weight of 465.60 g/mol. Its IUPAC name is 6-N-cyclohexyl-5,6-dimethyl-4-oxo-2-N-(4-phenylbutan-2-yl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-cyclohexyl-5,6-dimethyl-4-oxo-2-N-(4-phenylbutan-2-yl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
PubChem CID46278778
Molecular FormulaC26H35N5O3
Molecular Weight465.60 g/mol
Exact Mass465.27
IUPAC Name6-N-cyclohexyl-5,6-dimethyl-4-oxo-2-N-(4-phenylbutan-2-yl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCC(CCc1ccccc1)NC(=O)c1cc2n(n1)CC(C)(C(=O)NC1CCCCC1)N(C)C2=O
InChIInChI=1S/C26H35N5O3/c1-18(14-15-19-10-6-4-7-11-19)27-23(32)21-16-22-24(33)30(3)26(2,17-31(22)29-21)25(34)28-20-12-8-5-9-13-20/h4,6-7,10-11,16,18,20H,5,8-9,12-15,17H2,1-3H3,(H,27,32)(H,28,34)
InChIKeyREHNVBVBNWUIPM-UHFFFAOYSA-N
XLogP2.93
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

(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
6-N-cyclohexyl-5,6-dimethyl-4-oxo-2-N-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 20919434
2-N-benzyl-6-N-cyclopentyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 50758536
(6S)-2-N-benzyl-6-N-cyclopentyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743137
(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-cyclohexyl-5,6-dimethyl-2-N-[(3-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743364
(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-cycloheptyl-2-N-(4-ethylphenyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743519
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 6-N-cyclohexyl-5,6-dimethyl-4-oxo-2-N-(4-phenylbutan-2-yl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The IUPAC name of 6-N-cyclohexyl-5,6-dimethyl-4-oxo-2-N-(4-phenylbutan-2-yl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (CID 46278778) is 6-N-cyclohexyl-5,6-dimethyl-4-oxo-2-N-(4-phenylbutan-2-yl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-cyclohexyl-5,6-dimethyl-4-oxo-2-N-(4-phenylbutan-2-yl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The canonical SMILES for 6-N-cyclohexyl-5,6-dimethyl-4-oxo-2-N-(4-phenylbutan-2-yl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is CC(CCc1ccccc1)NC(=O)c1cc2n(n1)CC(C)(C(=O)NC1CCCCC1)N(C)C2=O.
What is the InChIKey of 6-N-cyclohexyl-5,6-dimethyl-4-oxo-2-N-(4-phenylbutan-2-yl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The InChIKey is REHNVBVBNWUIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O3/c1-18(14-15-19-10-6-4-7-11-19)27-23(32)21-16-22-24(33)30(3)26(2,17-31(22)29-21)25(34)28-20-12-8-5-9-13-20/h4,6-7,10-11,16,18,20H,5,8-9,12-15,17H2,1-3H3,(H,27,32)(H,28,34).
What are the key properties of 6-N-cyclohexyl-5,6-dimethyl-4-oxo-2-N-(4-phenylbutan-2-yl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
6-N-cyclohexyl-5,6-dimethyl-4-oxo-2-N-(4-phenylbutan-2-yl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide has a molecular weight of 465.60 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclohexyl-5,6-dimethyl-4-oxo-2-N-(4-phenylbutan-2-yl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is sourced from PubChem (CID 46278778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).