4-amino-1-but-3-enyl-N-prop-2-enylpyrazolo[3,4-b]pyridine-5-carboxamide

C14H17N5O — CID 10061744

IUPAC4-amino-1-but-3-enyl-N-prop-2-enylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESC=CCCn1ncc2c(N)c(C(=O)NCC=C)cnc21
InChIInChI=1S/C14H17N5O/c1-3-5-7-19-13-10(9-18-19)12(15)11(8-17-13)14(20)16-6-4-2/h3-4,8-9H,1-2,5-7H2,(H2,15,17)(H,16,20)
InChIKeyBTRQDFGGANNEOK-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.51
Rot. Bonds6

About 4-amino-1-but-3-enyl-N-prop-2-enylpyrazolo[3,4-b]pyridine-5-carboxamide

4-amino-1-but-3-enyl-N-prop-2-enylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 10061744) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-amino-1-but-3-enyl-N-prop-2-enylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-but-3-enyl-N-prop-2-enylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID10061744
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name4-amino-1-but-3-enyl-N-prop-2-enylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESC=CCCn1ncc2c(N)c(C(=O)NCC=C)cnc21
InChIInChI=1S/C14H17N5O/c1-3-5-7-19-13-10(9-18-19)12(15)11(8-17-13)14(20)16-6-4-2/h3-4,8-9H,1-2,5-7H2,(H2,15,17)(H,16,20)
InChIKeyBTRQDFGGANNEOK-UHFFFAOYSA-N
XLogP1.51
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.51
H-Bond Donors ≤ 52
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 4-amino-1-but-3-enyl-N-prop-2-enylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 4-amino-1-but-3-enyl-N-prop-2-enylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 10061744) is 4-amino-1-but-3-enyl-N-prop-2-enylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-amino-1-but-3-enyl-N-prop-2-enylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 4-amino-1-but-3-enyl-N-prop-2-enylpyrazolo[3,4-b]pyridine-5-carboxamide is C=CCCn1ncc2c(N)c(C(=O)NCC=C)cnc21.
What is the InChIKey of 4-amino-1-but-3-enyl-N-prop-2-enylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is BTRQDFGGANNEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-3-5-7-19-13-10(9-18-19)12(15)11(8-17-13)14(20)16-6-4-2/h3-4,8-9H,1-2,5-7H2,(H2,15,17)(H,16,20).
What are the key properties of 4-amino-1-but-3-enyl-N-prop-2-enylpyrazolo[3,4-b]pyridine-5-carboxamide?
4-amino-1-but-3-enyl-N-prop-2-enylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-but-3-enyl-N-prop-2-enylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 10061744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).