N-cyclohexyl-1-methyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide

C19H28N4O2 — CID 71563027

IUPACN-cyclohexyl-1-methyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCCCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2cnn(C)c21
InChIInChI=1S/C19H28N4O2/c1-3-4-8-11-23-13-16(17(24)15-12-20-22(2)19(15)23)18(25)21-14-9-6-5-7-10-14/h12-14H,3-11H2,1-2H3,(H,21,25)
InChIKeyJLRWXZDRAZQWDA-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.99
Rot. Bonds6

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

N-cyclohexyl-1-methyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 71563027) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-cyclohexyl-1-methyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-methyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide
PubChem CID71563027
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC NameN-cyclohexyl-1-methyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCCCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2cnn(C)c21
InChIInChI=1S/C19H28N4O2/c1-3-4-8-11-23-13-16(17(24)15-12-20-22(2)19(15)23)18(25)21-14-9-6-5-7-10-14/h12-14H,3-11H2,1-2H3,(H,21,25)
InChIKeyJLRWXZDRAZQWDA-UHFFFAOYSA-N
XLogP2.99
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.99
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-cyclohexyl-1-methyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of N-cyclohexyl-1-methyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide (CID 71563027) is N-cyclohexyl-1-methyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-methyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-cyclohexyl-1-methyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide is CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2cnn(C)c21.
What is the InChIKey of N-cyclohexyl-1-methyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is JLRWXZDRAZQWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-3-4-8-11-23-13-16(17(24)15-12-20-22(2)19(15)23)18(25)21-14-9-6-5-7-10-14/h12-14H,3-11H2,1-2H3,(H,21,25).
What are the key properties of N-cyclohexyl-1-methyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide?
N-cyclohexyl-1-methyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-methyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 71563027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).