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

C18H18N4O — CID 78847401

IUPAC1,3-dimethyl-N-phenyl-N-prop-2-enylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESC=CCN(C(=O)c1cnc2c(c1)c(C)nn2C)c1ccccc1
InChIInChI=1S/C18H18N4O/c1-4-10-22(15-8-6-5-7-9-15)18(23)14-11-16-13(2)20-21(3)17(16)19-12-14/h4-9,11-12H,1,10H2,2-3H3
InChIKeyQKSOWVISOPGAJL-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.11
Rot. Bonds4

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

1,3-dimethyl-N-phenyl-N-prop-2-enylpyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 78847401) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 1,3-dimethyl-N-phenyl-N-prop-2-enylpyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-phenyl-N-prop-2-enylpyrazolo[5,4-b]pyridine-5-carboxamide
PubChem CID78847401
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name1,3-dimethyl-N-phenyl-N-prop-2-enylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESC=CCN(C(=O)c1cnc2c(c1)c(C)nn2C)c1ccccc1
InChIInChI=1S/C18H18N4O/c1-4-10-22(15-8-6-5-7-9-15)18(23)14-11-16-13(2)20-21(3)17(16)19-12-14/h4-9,11-12H,1,10H2,2-3H3
InChIKeyQKSOWVISOPGAJL-UHFFFAOYSA-N
XLogP3.11
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 1,3-dimethyl-N-phenyl-N-prop-2-enylpyrazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of 1,3-dimethyl-N-phenyl-N-prop-2-enylpyrazolo[5,4-b]pyridine-5-carboxamide (CID 78847401) is 1,3-dimethyl-N-phenyl-N-prop-2-enylpyrazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-phenyl-N-prop-2-enylpyrazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-phenyl-N-prop-2-enylpyrazolo[5,4-b]pyridine-5-carboxamide is C=CCN(C(=O)c1cnc2c(c1)c(C)nn2C)c1ccccc1.
What is the InChIKey of 1,3-dimethyl-N-phenyl-N-prop-2-enylpyrazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is QKSOWVISOPGAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-4-10-22(15-8-6-5-7-9-15)18(23)14-11-16-13(2)20-21(3)17(16)19-12-14/h4-9,11-12H,1,10H2,2-3H3.
What are the key properties of 1,3-dimethyl-N-phenyl-N-prop-2-enylpyrazolo[5,4-b]pyridine-5-carboxamide?
1,3-dimethyl-N-phenyl-N-prop-2-enylpyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-phenyl-N-prop-2-enylpyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 78847401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).