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

C20H30N4O2 — CID 71562536

IUPACN-cyclohexyl-1,3-dimethyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCCCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2c(C)nn(C)c21
InChIInChI=1S/C20H30N4O2/c1-4-5-9-12-24-13-16(19(26)21-15-10-7-6-8-11-15)18(25)17-14(2)22-23(3)20(17)24/h13,15H,4-12H2,1-3H3,(H,21,26)
InChIKeyQWWIQCNBCCSETJ-UHFFFAOYSA-N
MW358.49 g/mol
LogP3.30
Rot. Bonds6

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

N-cyclohexyl-1,3-dimethyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 71562536) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-cyclohexyl-1,3-dimethyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1,3-dimethyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide
PubChem CID71562536
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC NameN-cyclohexyl-1,3-dimethyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCCCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2c(C)nn(C)c21
InChIInChI=1S/C20H30N4O2/c1-4-5-9-12-24-13-16(19(26)21-15-10-7-6-8-11-15)18(25)17-14(2)22-23(3)20(17)24/h13,15H,4-12H2,1-3H3,(H,21,26)
InChIKeyQWWIQCNBCCSETJ-UHFFFAOYSA-N
XLogP3.30
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 53.30
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-1,3-dimethyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of N-cyclohexyl-1,3-dimethyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide (CID 71562536) is N-cyclohexyl-1,3-dimethyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-1,3-dimethyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-cyclohexyl-1,3-dimethyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide is CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2c(C)nn(C)c21.
What is the InChIKey of N-cyclohexyl-1,3-dimethyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is QWWIQCNBCCSETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-4-5-9-12-24-13-16(19(26)21-15-10-7-6-8-11-15)18(25)17-14(2)22-23(3)20(17)24/h13,15H,4-12H2,1-3H3,(H,21,26).
What are the key properties of N-cyclohexyl-1,3-dimethyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide?
N-cyclohexyl-1,3-dimethyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 358.49 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1,3-dimethyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 71562536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).