N-cycloheptyl-1,3-dimethyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide

C21H32N4O2 — CID 71562781

IUPACN-cycloheptyl-1,3-dimethyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)c2c(C)nn(C)c21
InChIInChI=1S/C21H32N4O2/c1-4-5-10-13-25-14-17(19(26)18-15(2)23-24(3)21(18)25)20(27)22-16-11-8-6-7-9-12-16/h14,16H,4-13H2,1-3H3,(H,22,27)
InChIKeyKEWRWAAUFINIRH-UHFFFAOYSA-N
MW372.51 g/mol
LogP3.69
Rot. Bonds6

About N-cycloheptyl-1,3-dimethyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide

N-cycloheptyl-1,3-dimethyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 71562781) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is N-cycloheptyl-1,3-dimethyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1,3-dimethyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide
PubChem CID71562781
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC NameN-cycloheptyl-1,3-dimethyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)c2c(C)nn(C)c21
InChIInChI=1S/C21H32N4O2/c1-4-5-10-13-25-14-17(19(26)18-15(2)23-24(3)21(18)25)20(27)22-16-11-8-6-7-9-12-16/h14,16H,4-13H2,1-3H3,(H,22,27)
InChIKeyKEWRWAAUFINIRH-UHFFFAOYSA-N
XLogP3.69
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1,3-dimethyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of N-cycloheptyl-1,3-dimethyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide (CID 71562781) is N-cycloheptyl-1,3-dimethyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-cycloheptyl-1,3-dimethyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-cycloheptyl-1,3-dimethyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide is CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)c2c(C)nn(C)c21.
What is the InChIKey of N-cycloheptyl-1,3-dimethyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is KEWRWAAUFINIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-4-5-10-13-25-14-17(19(26)18-15(2)23-24(3)21(18)25)20(27)22-16-11-8-6-7-9-12-16/h14,16H,4-13H2,1-3H3,(H,22,27).
What are the key properties of N-cycloheptyl-1,3-dimethyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide?
N-cycloheptyl-1,3-dimethyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 372.51 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1,3-dimethyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 71562781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).