6-N-cycloheptyl-2-N-[3-(diethylamino)propyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

C24H40N6O3 — CID 46278800

IUPAC6-N-cycloheptyl-2-N-[3-(diethylamino)propyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCCN(CC)CCCNC(=O)c1cc2n(n1)CC(C)(C(=O)NC1CCCCCC1)N(C)C2=O
InChIInChI=1S/C24H40N6O3/c1-5-29(6-2)15-11-14-25-21(31)19-16-20-22(32)28(4)24(3,17-30(20)27-19)23(33)26-18-12-9-7-8-10-13-18/h16,18H,5-15,17H2,1-4H3,(H,25,31)(H,26,33)
InChIKeyHLAQTLSMFXEXCP-UHFFFAOYSA-N
MW460.62 g/mol
LogP2.03
Rot. Bonds9

About 6-N-cycloheptyl-2-N-[3-(diethylamino)propyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

6-N-cycloheptyl-2-N-[3-(diethylamino)propyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (PubChem CID 46278800) has the molecular formula C24H40N6O3 and a molecular weight of 460.62 g/mol. Its IUPAC name is 6-N-cycloheptyl-2-N-[3-(diethylamino)propyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-cycloheptyl-2-N-[3-(diethylamino)propyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
PubChem CID46278800
Molecular FormulaC24H40N6O3
Molecular Weight460.62 g/mol
Exact Mass460.32
IUPAC Name6-N-cycloheptyl-2-N-[3-(diethylamino)propyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCCN(CC)CCCNC(=O)c1cc2n(n1)CC(C)(C(=O)NC1CCCCCC1)N(C)C2=O
InChIInChI=1S/C24H40N6O3/c1-5-29(6-2)15-11-14-25-21(31)19-16-20-22(32)28(4)24(3,17-30(20)27-19)23(33)26-18-12-9-7-8-10-13-18/h16,18H,5-15,17H2,1-4H3,(H,25,31)(H,26,33)
InChIKeyHLAQTLSMFXEXCP-UHFFFAOYSA-N
XLogP2.03
TPSA99.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.62
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-N-cycloheptyl-2-N-[3-(diethylamino)propyl]-5,6-dimethyl-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

Frequently Asked Questions

What is the IUPAC name of 6-N-cycloheptyl-2-N-[3-(diethylamino)propyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The IUPAC name of 6-N-cycloheptyl-2-N-[3-(diethylamino)propyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (CID 46278800) is 6-N-cycloheptyl-2-N-[3-(diethylamino)propyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-cycloheptyl-2-N-[3-(diethylamino)propyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The canonical SMILES for 6-N-cycloheptyl-2-N-[3-(diethylamino)propyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is CCN(CC)CCCNC(=O)c1cc2n(n1)CC(C)(C(=O)NC1CCCCCC1)N(C)C2=O.
What is the InChIKey of 6-N-cycloheptyl-2-N-[3-(diethylamino)propyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The InChIKey is HLAQTLSMFXEXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N6O3/c1-5-29(6-2)15-11-14-25-21(31)19-16-20-22(32)28(4)24(3,17-30(20)27-19)23(33)26-18-12-9-7-8-10-13-18/h16,18H,5-15,17H2,1-4H3,(H,25,31)(H,26,33).
What are the key properties of 6-N-cycloheptyl-2-N-[3-(diethylamino)propyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
6-N-cycloheptyl-2-N-[3-(diethylamino)propyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide has a molecular weight of 460.62 g/mol, XLogP of 2.03, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cycloheptyl-2-N-[3-(diethylamino)propyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is sourced from PubChem (CID 46278800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).