N-cyclohexyl-1,3-dimethyl-4-oxo-7-prop-2-enylpyrazolo[5,4-b]pyridine-5-carboxamide

C18H24N4O2 — CID 71562539

IUPACN-cyclohexyl-1,3-dimethyl-4-oxo-7-prop-2-enylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESC=CCn1cc(C(=O)NC2CCCCC2)c(=O)c2c(C)nn(C)c21
InChIInChI=1S/C18H24N4O2/c1-4-10-22-11-14(17(24)19-13-8-6-5-7-9-13)16(23)15-12(2)20-21(3)18(15)22/h4,11,13H,1,5-10H2,2-3H3,(H,19,24)
InChIKeyXDQKZKVOUNRTNF-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.29
Rot. Bonds4

About N-cyclohexyl-1,3-dimethyl-4-oxo-7-prop-2-enylpyrazolo[5,4-b]pyridine-5-carboxamide

N-cyclohexyl-1,3-dimethyl-4-oxo-7-prop-2-enylpyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 71562539) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-cyclohexyl-1,3-dimethyl-4-oxo-7-prop-2-enylpyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1,3-dimethyl-4-oxo-7-prop-2-enylpyrazolo[5,4-b]pyridine-5-carboxamide
PubChem CID71562539
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-cyclohexyl-1,3-dimethyl-4-oxo-7-prop-2-enylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESC=CCn1cc(C(=O)NC2CCCCC2)c(=O)c2c(C)nn(C)c21
InChIInChI=1S/C18H24N4O2/c1-4-10-22-11-14(17(24)19-13-8-6-5-7-9-13)16(23)15-12(2)20-21(3)18(15)22/h4,11,13H,1,5-10H2,2-3H3,(H,19,24)
InChIKeyXDQKZKVOUNRTNF-UHFFFAOYSA-N
XLogP2.29
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1,3-dimethyl-4-oxo-7-prop-2-enylpyrazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of N-cyclohexyl-1,3-dimethyl-4-oxo-7-prop-2-enylpyrazolo[5,4-b]pyridine-5-carboxamide (CID 71562539) is N-cyclohexyl-1,3-dimethyl-4-oxo-7-prop-2-enylpyrazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-1,3-dimethyl-4-oxo-7-prop-2-enylpyrazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-cyclohexyl-1,3-dimethyl-4-oxo-7-prop-2-enylpyrazolo[5,4-b]pyridine-5-carboxamide is C=CCn1cc(C(=O)NC2CCCCC2)c(=O)c2c(C)nn(C)c21.
What is the InChIKey of N-cyclohexyl-1,3-dimethyl-4-oxo-7-prop-2-enylpyrazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is XDQKZKVOUNRTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-4-10-22-11-14(17(24)19-13-8-6-5-7-9-13)16(23)15-12(2)20-21(3)18(15)22/h4,11,13H,1,5-10H2,2-3H3,(H,19,24).
What are the key properties of N-cyclohexyl-1,3-dimethyl-4-oxo-7-prop-2-enylpyrazolo[5,4-b]pyridine-5-carboxamide?
N-cyclohexyl-1,3-dimethyl-4-oxo-7-prop-2-enylpyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.29, 4 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-prop-2-enylpyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 71562539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).