7-(2-aminoethyl)-4-methyl-2-phenyl-1H-pyrazolo[3,4-b]pyridine-3,6-dione

C15H16N4O2 — CID 70536609

IUPAC7-(2-aminoethyl)-4-methyl-2-phenyl-1H-pyrazolo[3,4-b]pyridine-3,6-dione
SMILESCc1cc(=O)n(CCN)c2[nH]n(-c3ccccc3)c(=O)c12
InChIInChI=1S/C15H16N4O2/c1-10-9-12(20)18(8-7-16)14-13(10)15(21)19(17-14)11-5-3-2-4-6-11/h2-6,9,17H,7-8,16H2,1H3
InChIKeyXXJCLBUFJZCQHL-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.75
Rot. Bonds3

About 7-(2-aminoethyl)-4-methyl-2-phenyl-1H-pyrazolo[3,4-b]pyridine-3,6-dione

7-(2-aminoethyl)-4-methyl-2-phenyl-1H-pyrazolo[3,4-b]pyridine-3,6-dione (PubChem CID 70536609) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 7-(2-aminoethyl)-4-methyl-2-phenyl-1H-pyrazolo[3,4-b]pyridine-3,6-dione.

Molecular Properties

Compound Name7-(2-aminoethyl)-4-methyl-2-phenyl-1H-pyrazolo[3,4-b]pyridine-3,6-dione
PubChem CID70536609
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name7-(2-aminoethyl)-4-methyl-2-phenyl-1H-pyrazolo[3,4-b]pyridine-3,6-dione
SMILESCc1cc(=O)n(CCN)c2[nH]n(-c3ccccc3)c(=O)c12
InChIInChI=1S/C15H16N4O2/c1-10-9-12(20)18(8-7-16)14-13(10)15(21)19(17-14)11-5-3-2-4-6-11/h2-6,9,17H,7-8,16H2,1H3
InChIKeyXXJCLBUFJZCQHL-UHFFFAOYSA-N
XLogP0.75
TPSA85.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(2Z)-2-(1-carbamothioyl-3-methyl-5-oxopyrazol-4-ylidene)hydrazinyl]phenyl]-N-methylacetamide
CID 5213137
3-hydroxy-4-methyl-2-phenyl-2,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one
CID 617753
3-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1,1-diethyl-urea
CID 735657
1-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)methyl]urea (5a)
CID 86766198
3-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1,1-dimethyl-urea
CID 738619
3-[5-methyl-3-oxo-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1H-pyrazol-2-yl]propanenitrile
CID 2367708
US10975084, Example 11-118
CID 156907791
Butyramide, 2-acetamido-N-antipyrinyl-
CID 3067303
N-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4yl)methyl] hydrazine carboxamide (5g)
CID 86766204
5-methyl-3-oxo-2-phenyl-N-propyl-1H-pyrazole-4-carboxamide
CID 145981998
FAMPROFAZONE_met031
CID 171115211
1,2-Dihydro-4-hydroxy-6-methyl-2-phenyl-3H-pyrazolo[3,4-b]pyridin-3-one
CID 343282

Frequently Asked Questions

What is the IUPAC name of 7-(2-aminoethyl)-4-methyl-2-phenyl-1H-pyrazolo[3,4-b]pyridine-3,6-dione?
The IUPAC name of 7-(2-aminoethyl)-4-methyl-2-phenyl-1H-pyrazolo[3,4-b]pyridine-3,6-dione (CID 70536609) is 7-(2-aminoethyl)-4-methyl-2-phenyl-1H-pyrazolo[3,4-b]pyridine-3,6-dione.
What is the SMILES notation for 7-(2-aminoethyl)-4-methyl-2-phenyl-1H-pyrazolo[3,4-b]pyridine-3,6-dione?
The canonical SMILES for 7-(2-aminoethyl)-4-methyl-2-phenyl-1H-pyrazolo[3,4-b]pyridine-3,6-dione is Cc1cc(=O)n(CCN)c2[nH]n(-c3ccccc3)c(=O)c12.
What is the InChIKey of 7-(2-aminoethyl)-4-methyl-2-phenyl-1H-pyrazolo[3,4-b]pyridine-3,6-dione?
The InChIKey is XXJCLBUFJZCQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-10-9-12(20)18(8-7-16)14-13(10)15(21)19(17-14)11-5-3-2-4-6-11/h2-6,9,17H,7-8,16H2,1H3.
What are the key properties of 7-(2-aminoethyl)-4-methyl-2-phenyl-1H-pyrazolo[3,4-b]pyridine-3,6-dione?
7-(2-aminoethyl)-4-methyl-2-phenyl-1H-pyrazolo[3,4-b]pyridine-3,6-dione has a molecular weight of 284.32 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-aminoethyl)-4-methyl-2-phenyl-1H-pyrazolo[3,4-b]pyridine-3,6-dione is sourced from PubChem (CID 70536609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).