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

C25H36N4O2 — CID 71562902

IUPACN-(1-adamantyl)-3-ethyl-1-methyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2c(CC)nn(C)c21
InChIInChI=1S/C25H36N4O2/c1-4-6-7-8-29-15-19(22(30)21-20(5-2)27-28(3)24(21)29)23(31)26-25-12-16-9-17(13-25)11-18(10-16)14-25/h15-18H,4-14H2,1-3H3,(H,26,31)
InChIKeyJGBRLAUJLHTDKZ-UHFFFAOYSA-N
MW424.59 g/mol
LogP4.19
Rot. Bonds7

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

N-(1-adamantyl)-3-ethyl-1-methyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 71562902) has the molecular formula C25H36N4O2 and a molecular weight of 424.59 g/mol. Its IUPAC name is N-(1-adamantyl)-3-ethyl-1-methyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-3-ethyl-1-methyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide
PubChem CID71562902
Molecular FormulaC25H36N4O2
Molecular Weight424.59 g/mol
Exact Mass424.28
IUPAC NameN-(1-adamantyl)-3-ethyl-1-methyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2c(CC)nn(C)c21
InChIInChI=1S/C25H36N4O2/c1-4-6-7-8-29-15-19(22(30)21-20(5-2)27-28(3)24(21)29)23(31)26-25-12-16-9-17(13-25)11-18(10-16)14-25/h15-18H,4-14H2,1-3H3,(H,26,31)
InChIKeyJGBRLAUJLHTDKZ-UHFFFAOYSA-N
XLogP4.19
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(1-adamantyl)-3-ethyl-1-methyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-adamantyl)-2-ethyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 71680717
N-cyclohexyl-1,3-dimethyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 71562536
7-butyl-N-cyclohexyl-1,3-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide
CID 71562537
N-cyclohexyl-1,3-dimethyl-4-oxo-7-propylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 71562538
N-cyclohexyl-1,3-dimethyl-4-oxo-7-prop-2-enylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 71562539
N-cyclohexyl-7-hexyl-1,3-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide
CID 71562648
N-(cyclohexylmethyl)-1,3-dimethyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 71562652
1,3-dimethyl-N-(4-methylcyclohexyl)-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 71562780
N-cycloheptyl-1,3-dimethyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 71562781
N-(1-adamantyl)-1,3-dimethyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 71562782
1,3-dimethyl-N-(5-methylhexan-2-yl)-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 71562784
N-cyclohexyl-3-ethyl-1-methyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 71562901

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-3-ethyl-1-methyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of N-(1-adamantyl)-3-ethyl-1-methyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide (CID 71562902) is N-(1-adamantyl)-3-ethyl-1-methyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-3-ethyl-1-methyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-(1-adamantyl)-3-ethyl-1-methyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide is CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2c(CC)nn(C)c21.
What is the InChIKey of N-(1-adamantyl)-3-ethyl-1-methyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is JGBRLAUJLHTDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O2/c1-4-6-7-8-29-15-19(22(30)21-20(5-2)27-28(3)24(21)29)23(31)26-25-12-16-9-17(13-25)11-18(10-16)14-25/h15-18H,4-14H2,1-3H3,(H,26,31).
What are the key properties of N-(1-adamantyl)-3-ethyl-1-methyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide?
N-(1-adamantyl)-3-ethyl-1-methyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 424.59 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-3-ethyl-1-methyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 71562902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).