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

C24H34N4O2 — CID 71562782

IUPACN-(1-adamantyl)-1,3-dimethyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2c(C)nn(C)c21
InChIInChI=1S/C24H34N4O2/c1-4-5-6-7-28-14-19(21(29)20-15(2)26-27(3)23(20)28)22(30)25-24-11-16-8-17(12-24)10-18(9-16)13-24/h14,16-18H,4-13H2,1-3H3,(H,25,30)
InChIKeyOBTIUCWWJXZKHI-UHFFFAOYSA-N
MW410.56 g/mol
LogP3.93
Rot. Bonds6

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

N-(1-adamantyl)-1,3-dimethyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 71562782) has the molecular formula C24H34N4O2 and a molecular weight of 410.56 g/mol. Its IUPAC name is N-(1-adamantyl)-1,3-dimethyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-1,3-dimethyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide
PubChem CID71562782
Molecular FormulaC24H34N4O2
Molecular Weight410.56 g/mol
Exact Mass410.27
IUPAC NameN-(1-adamantyl)-1,3-dimethyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2c(C)nn(C)c21
InChIInChI=1S/C24H34N4O2/c1-4-5-6-7-28-14-19(21(29)20-15(2)26-27(3)23(20)28)22(30)25-24-11-16-8-17(12-24)10-18(9-16)13-24/h14,16-18H,4-13H2,1-3H3,(H,25,30)
InChIKeyOBTIUCWWJXZKHI-UHFFFAOYSA-N
XLogP3.93
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 53.93
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)-1,3-dimethyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of N-(1-adamantyl)-1,3-dimethyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide (CID 71562782) is N-(1-adamantyl)-1,3-dimethyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-1,3-dimethyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-(1-adamantyl)-1,3-dimethyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide is CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2c(C)nn(C)c21.
What is the InChIKey of N-(1-adamantyl)-1,3-dimethyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is OBTIUCWWJXZKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O2/c1-4-5-6-7-28-14-19(21(29)20-15(2)26-27(3)23(20)28)22(30)25-24-11-16-8-17(12-24)10-18(9-16)13-24/h14,16-18H,4-13H2,1-3H3,(H,25,30).
What are the key properties of N-(1-adamantyl)-1,3-dimethyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide?
N-(1-adamantyl)-1,3-dimethyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 410.56 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-1,3-dimethyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 71562782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).