1,3,6-trimethyl-N,N-bis(prop-2-enyl)pyrazolo[3,4-b]pyridine-4-carboxamide

C16H20N4O — CID 35337685

IUPAC1,3,6-trimethyl-N,N-bis(prop-2-enyl)pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESC=CCN(CC=C)C(=O)c1cc(C)nc2c1c(C)nn2C
InChIInChI=1S/C16H20N4O/c1-6-8-20(9-7-2)16(21)13-10-11(3)17-15-14(13)12(4)18-19(15)5/h6-7,10H,1-2,8-9H2,3-5H3
InChIKeyVXRBLTHXESMCOR-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.40
Rot. Bonds5

About 1,3,6-trimethyl-N,N-bis(prop-2-enyl)pyrazolo[3,4-b]pyridine-4-carboxamide

1,3,6-trimethyl-N,N-bis(prop-2-enyl)pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 35337685) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 1,3,6-trimethyl-N,N-bis(prop-2-enyl)pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1,3,6-trimethyl-N,N-bis(prop-2-enyl)pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID35337685
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name1,3,6-trimethyl-N,N-bis(prop-2-enyl)pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESC=CCN(CC=C)C(=O)c1cc(C)nc2c1c(C)nn2C
InChIInChI=1S/C16H20N4O/c1-6-8-20(9-7-2)16(21)13-10-11(3)17-15-14(13)12(4)18-19(15)5/h6-7,10H,1-2,8-9H2,3-5H3
InChIKeyVXRBLTHXESMCOR-UHFFFAOYSA-N
XLogP2.40
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1,3,6-trimethyl-N,N-bis(prop-2-enyl)pyrazolo[3,4-b]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3,6-trimethyl-N,N-bis(prop-2-enyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of 1,3,6-trimethyl-N,N-bis(prop-2-enyl)pyrazolo[3,4-b]pyridine-4-carboxamide (CID 35337685) is 1,3,6-trimethyl-N,N-bis(prop-2-enyl)pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1,3,6-trimethyl-N,N-bis(prop-2-enyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1,3,6-trimethyl-N,N-bis(prop-2-enyl)pyrazolo[3,4-b]pyridine-4-carboxamide is C=CCN(CC=C)C(=O)c1cc(C)nc2c1c(C)nn2C.
What is the InChIKey of 1,3,6-trimethyl-N,N-bis(prop-2-enyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is VXRBLTHXESMCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-6-8-20(9-7-2)16(21)13-10-11(3)17-15-14(13)12(4)18-19(15)5/h6-7,10H,1-2,8-9H2,3-5H3.
What are the key properties of 1,3,6-trimethyl-N,N-bis(prop-2-enyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
1,3,6-trimethyl-N,N-bis(prop-2-enyl)pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6-trimethyl-N,N-bis(prop-2-enyl)pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 35337685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).