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

C26H36N6O3 — CID 92864324

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

(6R)-6-N-cycloheptyl-2-N-[[4-(dimethylamino)phenyl]methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (PubChem CID 92864324) has the molecular formula C26H36N6O3 and a molecular weight of 480.61 g/mol. Its IUPAC name is (6R)-6-N-cycloheptyl-2-N-[[4-(dimethylamino)phenyl]methyl]-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-(dimethylamino)phenyl]methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
• PubChem CID: 92864324
• Molecular Formula: C26H36N6O3
• Molecular Weight: 480.61 g/mol
• Exact Mass: 480.28
• IUPAC Name: (6R)-6-N-cycloheptyl-2-N-[[4-(dimethylamino)phenyl]methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
• SMILES: CN(C)c1ccc(CNC(=O)c2cc3n(n2)C[C@](C)(C(=O)NC2CCCCCC2)N(C)C3=O)cc1
• InChI: InChI=1S/C26H36N6O3/c1-26(25(35)28-19-9-7-5-6-8-10-19)17-32-22(24(34)31(26)4)15-21(29-32)23(33)27-16-18-11-13-20(14-12-18)30(2)3/h11-15,19H,5-10,16-17H2,1-4H3,(H,27,33)(H,28,35)/t26-/m1/s1
• InChIKey: FHEBJLBICDCCCM-AREMUKBSSA-N
• XLogP: 2.56
• TPSA: 99.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.61
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (6R)-6-N-cycloheptyl-2-N-[[4-(dimethylamino)phenyl]methyl]-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-(dimethylamino)phenyl]methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (CID 92864324) is (6R)-6-N-cycloheptyl-2-N-[[4-(dimethylamino)phenyl]methyl]-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-(dimethylamino)phenyl]methyl]-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-(dimethylamino)phenyl]methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is CN(C)c1ccc(CNC(=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-(dimethylamino)phenyl]methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?

The InChIKey is FHEBJLBICDCCCM-AREMUKBSSA-N. The full InChI is InChI=1S/C26H36N6O3/c1-26(25(35)28-19-9-7-5-6-8-10-19)17-32-22(24(34)31(26)4)15-21(29-32)23(33)27-16-18-11-13-20(14-12-18)30(2)3/h11-15,19H,5-10,16-17H2,1-4H3,(H,27,33)(H,28,35)/t26-/m1/s1.

What are the key properties of (6R)-6-N-cycloheptyl-2-N-[[4-(dimethylamino)phenyl]methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?

(6R)-6-N-cycloheptyl-2-N-[[4-(dimethylamino)phenyl]methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide has a molecular weight of 480.61 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-6-N-cycloheptyl-2-N-[[4-(dimethylamino)phenyl]methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is sourced from PubChem (CID 92864324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).