5-[(2E)-penta-2,4-dien-2-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine

C11H12N4 — CID 129074750

IUPAC5-[(2E)-penta-2,4-dien-2-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine
SMILESC=C/C=C(\C)c1cnc2n[nH]c(N)c2c1
InChIInChI=1S/C11H12N4/c1-3-4-7(2)8-5-9-10(12)14-15-11(9)13-6-8/h3-6H,1H2,2H3,(H3,12,13,14,15)/b7-4+
InChIKeyUOYFUCOEVCIQIH-QPJJXVBHSA-N
MW200.24 g/mol
LogP2.13
Rot. Bonds2

About 5-[(2E)-penta-2,4-dien-2-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine

5-[(2E)-penta-2,4-dien-2-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine (PubChem CID 129074750) has the molecular formula C11H12N4 and a molecular weight of 200.24 g/mol. Its IUPAC name is 5-[(2E)-penta-2,4-dien-2-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine.

Molecular Properties

Compound Name5-[(2E)-penta-2,4-dien-2-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine
PubChem CID129074750
Molecular FormulaC11H12N4
Molecular Weight200.24 g/mol
Exact Mass200.11
IUPAC Name5-[(2E)-penta-2,4-dien-2-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine
SMILESC=C/C=C(\C)c1cnc2n[nH]c(N)c2c1
InChIInChI=1S/C11H12N4/c1-3-4-7(2)8-5-9-10(12)14-15-11(9)13-6-8/h3-6H,1H2,2H3,(H3,12,13,14,15)/b7-4+
InChIKeyUOYFUCOEVCIQIH-QPJJXVBHSA-N
XLogP2.13
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;3-[(3E)-hexa-1,3,5-trien-3-yl]-2H-pyrazolo[3,4-b]pyridin-5-amine
CID 143860341
3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]-2H-pyrazolo[3,4-b]pyridine
CID 145038409
2-methyl-5-[(2E)-penta-2,4-dien-2-yl]pyridine
CID 145498149
3-carbamoyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 125497646
5-ethenyl-3-methyl-2H-pyrazolo[3,4-b]pyridine
CID 148629869
2-[(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)sulfanyl]benzamide
CID 89465393
3-[4-[(1Z)-1-(3-fluoro-5-methylphenyl)buta-1,3-dienyl]-5-methyl-1H-pyrrol-2-yl]-5-[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]-2H-pyrazolo[3,4-b]pyridine
CID 145250370
methyl (5Z)-3-methyl-N-(methylideneamino)-2H-pyrazolo[3,4-b]pyridine-5-carboximidothioate
CID 143219637
4-[(3E)-6-methylhepta-1,3,5-trien-4-yl]-1H-pyrazol-5-amine
CID 144515390
ethane;N-[(E)-2-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]prop-1-enyl]propan-2-imine
CID 145245434
N-methyl-2-[5-[(2E,4Z)-5-(methylideneamino)-5-(propanoylamino)penta-2,4-dien-2-yl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide
CID 138626224
3-[4-[(1E)-1-(5-fluorothiophen-2-yl)buta-1,3-dienyl]-5-methyl-1H-pyrrol-2-yl]-5-[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]-2H-pyrazolo[3,4-b]pyridine
CID 145245529

Frequently Asked Questions

What is the IUPAC name of 5-[(2E)-penta-2,4-dien-2-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine?
The IUPAC name of 5-[(2E)-penta-2,4-dien-2-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine (CID 129074750) is 5-[(2E)-penta-2,4-dien-2-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine.
What is the SMILES notation for 5-[(2E)-penta-2,4-dien-2-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine?
The canonical SMILES for 5-[(2E)-penta-2,4-dien-2-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine is C=C/C=C(\C)c1cnc2n[nH]c(N)c2c1.
What is the InChIKey of 5-[(2E)-penta-2,4-dien-2-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine?
The InChIKey is UOYFUCOEVCIQIH-QPJJXVBHSA-N. The full InChI is InChI=1S/C11H12N4/c1-3-4-7(2)8-5-9-10(12)14-15-11(9)13-6-8/h3-6H,1H2,2H3,(H3,12,13,14,15)/b7-4+.
What are the key properties of 5-[(2E)-penta-2,4-dien-2-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine?
5-[(2E)-penta-2,4-dien-2-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine has a molecular weight of 200.24 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2E)-penta-2,4-dien-2-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine is sourced from PubChem (CID 129074750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).