3-[[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]methyl]benzene-1,2-diol

C15H16N4O2 — CID 61319914

IUPAC3-[[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]methyl]benzene-1,2-diol
SMILESCc1nn(C)c2ncc(NCc3cccc(O)c3O)cc12
InChIInChI=1S/C15H16N4O2/c1-9-12-6-11(8-17-15(12)19(2)18-9)16-7-10-4-3-5-13(20)14(10)21/h3-6,8,16,20-21H,7H2,1-2H3
InChIKeyNSPAFCOGRIFGTR-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.30
Rot. Bonds3

About 3-[[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]methyl]benzene-1,2-diol

3-[[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]methyl]benzene-1,2-diol (PubChem CID 61319914) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 3-[[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]methyl]benzene-1,2-diol.

Molecular Properties

Compound Name3-[[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]methyl]benzene-1,2-diol
PubChem CID61319914
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name3-[[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]methyl]benzene-1,2-diol
SMILESCc1nn(C)c2ncc(NCc3cccc(O)c3O)cc12
InChIInChI=1S/C15H16N4O2/c1-9-12-6-11(8-17-15(12)19(2)18-9)16-7-10-4-3-5-13(20)14(10)21/h3-6,8,16,20-21H,7H2,1-2H3
InChIKeyNSPAFCOGRIFGTR-UHFFFAOYSA-N
XLogP2.30
TPSA83.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

1,3-dimethyl-N-[(2-methylphenyl)methyl]pyrazolo[5,4-b]pyridin-5-amine
CID 43725573
N-[(2,3-difluorophenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine
CID 63668922
N-[(4-bromo-2-fluorophenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine
CID 43725626
1,3-dimethyl-N-(1,3-thiazol-5-ylmethyl)pyrazolo[5,4-b]pyridin-5-amine
CID 62759821
1,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrazolo[5,4-b]pyridin-5-amine
CID 62356069
N-[(5-ethylfuran-2-yl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine
CID 62344911
1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridin-5-amine
CID 43725592
N-[(5-chlorofuran-2-yl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine
CID 60780857
N-[[3-(2-methoxyethoxy)phenyl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine
CID 75400539
N-(1H-imidazol-5-ylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine
CID 62761757
1,3-dimethyl-N-(2-phenylpropyl)pyrazolo[5,4-b]pyridin-5-amine
CID 43725542
1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[(2-ethoxyphenyl)methyl]urea
CID 146124549

Frequently Asked Questions

What is the IUPAC name of 3-[[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]methyl]benzene-1,2-diol?
The IUPAC name of 3-[[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]methyl]benzene-1,2-diol (CID 61319914) is 3-[[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]methyl]benzene-1,2-diol.
What is the SMILES notation for 3-[[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]methyl]benzene-1,2-diol?
The canonical SMILES for 3-[[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]methyl]benzene-1,2-diol is Cc1nn(C)c2ncc(NCc3cccc(O)c3O)cc12.
What is the InChIKey of 3-[[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]methyl]benzene-1,2-diol?
The InChIKey is NSPAFCOGRIFGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-9-12-6-11(8-17-15(12)19(2)18-9)16-7-10-4-3-5-13(20)14(10)21/h3-6,8,16,20-21H,7H2,1-2H3.
What are the key properties of 3-[[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]methyl]benzene-1,2-diol?
3-[[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]methyl]benzene-1,2-diol has a molecular weight of 284.32 g/mol, XLogP of 2.30, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]methyl]benzene-1,2-diol is sourced from PubChem (CID 61319914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).