N-(1-adamantyl)-1-methyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide

C23H32N4O2 — CID 71563029

IUPACN-(1-adamantyl)-1-methyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cnn(C)c21
InChIInChI=1S/C23H32N4O2/c1-3-4-5-6-27-14-19(20(28)18-13-24-26(2)22(18)27)21(29)25-23-10-15-7-16(11-23)9-17(8-15)12-23/h13-17H,3-12H2,1-2H3,(H,25,29)
InChIKeyPUUYIGONXWIUKO-UHFFFAOYSA-N
MW396.54 g/mol
LogP3.62
Rot. Bonds6

About N-(1-adamantyl)-1-methyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide

N-(1-adamantyl)-1-methyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 71563029) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is N-(1-adamantyl)-1-methyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-1-methyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide
PubChem CID71563029
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC NameN-(1-adamantyl)-1-methyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cnn(C)c21
InChIInChI=1S/C23H32N4O2/c1-3-4-5-6-27-14-19(20(28)18-13-24-26(2)22(18)27)21(29)25-23-10-15-7-16(11-23)9-17(8-15)12-23/h13-17H,3-12H2,1-2H3,(H,25,29)
InChIKeyPUUYIGONXWIUKO-UHFFFAOYSA-N
XLogP3.62
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.62
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-(1-adamantyl)-1-methyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of N-(1-adamantyl)-1-methyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide (CID 71563029) is N-(1-adamantyl)-1-methyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-1-methyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-(1-adamantyl)-1-methyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide is CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cnn(C)c21.
What is the InChIKey of N-(1-adamantyl)-1-methyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is PUUYIGONXWIUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-3-4-5-6-27-14-19(20(28)18-13-24-26(2)22(18)27)21(29)25-23-10-15-7-16(11-23)9-17(8-15)12-23/h13-17H,3-12H2,1-2H3,(H,25,29).
What are the key properties of N-(1-adamantyl)-1-methyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide?
N-(1-adamantyl)-1-methyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 396.54 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-1-methyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 71563029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).