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

C23H35N5O3 — CID 92743317

IUPAC(6R)-2-N-cycloheptyl-6-N-cyclohexyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCN1C(=O)c2cc(C(=O)NC3CCCCCC3)nn2C[C@]1(C)C(=O)NC1CCCCC1
InChIInChI=1S/C23H35N5O3/c1-23(22(31)25-17-12-8-5-9-13-17)15-28-19(21(30)27(23)2)14-18(26-28)20(29)24-16-10-6-3-4-7-11-16/h14,16-17H,3-13,15H2,1-2H3,(H,24,29)(H,25,31)/t23-/m1/s1
InChIKeySVAAMVNSKLFMNN-HSZRJFAPSA-N
MW429.57 g/mol
LogP2.63
Rot. Bonds4

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

(6R)-2-N-cycloheptyl-6-N-cyclohexyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (PubChem CID 92743317) has the molecular formula C23H35N5O3 and a molecular weight of 429.57 g/mol. Its IUPAC name is (6R)-2-N-cycloheptyl-6-N-cyclohexyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.

Molecular Properties

Compound Name(6R)-2-N-cycloheptyl-6-N-cyclohexyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
PubChem CID92743317
Molecular FormulaC23H35N5O3
Molecular Weight429.57 g/mol
Exact Mass429.27
IUPAC Name(6R)-2-N-cycloheptyl-6-N-cyclohexyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCN1C(=O)c2cc(C(=O)NC3CCCCCC3)nn2C[C@]1(C)C(=O)NC1CCCCC1
InChIInChI=1S/C23H35N5O3/c1-23(22(31)25-17-12-8-5-9-13-17)15-28-19(21(30)27(23)2)14-18(26-28)20(29)24-16-10-6-3-4-7-11-16/h14,16-17H,3-13,15H2,1-2H3,(H,24,29)(H,25,31)/t23-/m1/s1
InChIKeySVAAMVNSKLFMNN-HSZRJFAPSA-N
XLogP2.63
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

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-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
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,6-N-dicyclopentyl-6-methyl-4-oxo-5-propyl-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 46279096
(6R)-2-N,6-N-dicyclopentyl-6-methyl-4-oxo-5-propyl-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92744327
(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-4-oxo-2-N-(3-pyrrolidin-1-ylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743426
6-N-cyclopentyl-5,6-dimethyl-4-oxo-2-N-(3-piperidin-1-ylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 46278753
(6R)-6-N-cycloheptyl-2-N-(4-ethylphenyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743519
2-N-[(4-chlorophenyl)methyl]-6-N-cycloheptyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 50758464

Frequently Asked Questions

What is the IUPAC name of (6R)-2-N-cycloheptyl-6-N-cyclohexyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The IUPAC name of (6R)-2-N-cycloheptyl-6-N-cyclohexyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (CID 92743317) is (6R)-2-N-cycloheptyl-6-N-cyclohexyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.
What is the SMILES notation for (6R)-2-N-cycloheptyl-6-N-cyclohexyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The canonical SMILES for (6R)-2-N-cycloheptyl-6-N-cyclohexyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is CN1C(=O)c2cc(C(=O)NC3CCCCCC3)nn2C[C@]1(C)C(=O)NC1CCCCC1.
What is the InChIKey of (6R)-2-N-cycloheptyl-6-N-cyclohexyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The InChIKey is SVAAMVNSKLFMNN-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H35N5O3/c1-23(22(31)25-17-12-8-5-9-13-17)15-28-19(21(30)27(23)2)14-18(26-28)20(29)24-16-10-6-3-4-7-11-16/h14,16-17H,3-13,15H2,1-2H3,(H,24,29)(H,25,31)/t23-/m1/s1.
What are the key properties of (6R)-2-N-cycloheptyl-6-N-cyclohexyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
(6R)-2-N-cycloheptyl-6-N-cyclohexyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide has a molecular weight of 429.57 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-N-cycloheptyl-6-N-cyclohexyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is sourced from PubChem (CID 92743317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).