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

C21H32N4O2 — CID 71562652

IUPACN-(cyclohexylmethyl)-1,3-dimethyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCCCCCn1cc(C(=O)NCC2CCCCC2)c(=O)c2c(C)nn(C)c21
InChIInChI=1S/C21H32N4O2/c1-4-5-9-12-25-14-17(19(26)18-15(2)23-24(3)21(18)25)20(27)22-13-16-10-7-6-8-11-16/h14,16H,4-13H2,1-3H3,(H,22,27)
InChIKeyVLCRLODYWJIILG-UHFFFAOYSA-N
MW372.51 g/mol
LogP3.54
Rot. Bonds7

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

N-(cyclohexylmethyl)-1,3-dimethyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 71562652) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1,3-dimethyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1,3-dimethyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide
PubChem CID71562652
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC NameN-(cyclohexylmethyl)-1,3-dimethyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCCCCCn1cc(C(=O)NCC2CCCCC2)c(=O)c2c(C)nn(C)c21
InChIInChI=1S/C21H32N4O2/c1-4-5-9-12-25-14-17(19(26)18-15(2)23-24(3)21(18)25)20(27)22-13-16-10-7-6-8-11-16/h14,16H,4-13H2,1-3H3,(H,22,27)
InChIKeyVLCRLODYWJIILG-UHFFFAOYSA-N
XLogP3.54
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.54
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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Related Compounds

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
7-benzyl-N-cyclohexyl-1,3-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide
CID 71562649
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
1,3-dimethyl-4-oxo-7-pentyl-N-phenylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 71562897
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-(cyclohexylmethyl)-1,3-dimethyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-1,3-dimethyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide (CID 71562652) is N-(cyclohexylmethyl)-1,3-dimethyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-1,3-dimethyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-1,3-dimethyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide is CCCCCn1cc(C(=O)NCC2CCCCC2)c(=O)c2c(C)nn(C)c21.
What is the InChIKey of N-(cyclohexylmethyl)-1,3-dimethyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is VLCRLODYWJIILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-4-5-9-12-25-14-17(19(26)18-15(2)23-24(3)21(18)25)20(27)22-13-16-10-7-6-8-11-16/h14,16H,4-13H2,1-3H3,(H,22,27).
What are the key properties of N-(cyclohexylmethyl)-1,3-dimethyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide?
N-(cyclohexylmethyl)-1,3-dimethyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 372.51 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1,3-dimethyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 71562652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).