(3-amino-1-methylpyrazolo[4,3-b]pyridin-6-yl)boronic acid

C7H9BN4O2 — CID 171809825

IUPAC(3-amino-1-methylpyrazolo[4,3-b]pyridin-6-yl)boronic acid
SMILESCn1nc(N)c2ncc(B(O)O)cc21
InChIInChI=1S/C7H9BN4O2/c1-12-5-2-4(8(13)14)3-10-6(5)7(9)11-12/h2-3,13-14H,1H3,(H2,9,11)
InChIKeyJIPWTIQHAWQRED-UHFFFAOYSA-N
MW191.99 g/mol
LogP-1.77
Rot. Bonds1

About (3-amino-1-methylpyrazolo[4,3-b]pyridin-6-yl)boronic acid

(3-amino-1-methylpyrazolo[4,3-b]pyridin-6-yl)boronic acid (PubChem CID 171809825) has the molecular formula C7H9BN4O2 and a molecular weight of 191.99 g/mol. Its IUPAC name is (3-amino-1-methylpyrazolo[4,3-b]pyridin-6-yl)boronic acid.

Molecular Properties

Compound Name(3-amino-1-methylpyrazolo[4,3-b]pyridin-6-yl)boronic acid
PubChem CID171809825
Molecular FormulaC7H9BN4O2
Molecular Weight191.99 g/mol
Exact Mass192.08
IUPAC Name(3-amino-1-methylpyrazolo[4,3-b]pyridin-6-yl)boronic acid
SMILESCn1nc(N)c2ncc(B(O)O)cc21
InChIInChI=1S/C7H9BN4O2/c1-12-5-2-4(8(13)14)3-10-6(5)7(9)11-12/h2-3,13-14H,1H3,(H2,9,11)
InChIKeyJIPWTIQHAWQRED-UHFFFAOYSA-N
XLogP-1.77
TPSA97.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.99
LogP ≤ 5-1.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)boronic acid
CID 141489391
(6-amino-5-fluoro-3-pyridinyl)boronic acid
CID 91882688
3-bromo-1-methylpyrazolo[4,3-b]pyridin-6-amine
CID 84725904
1-methylpyrazolo[4,3-c]pyridine-3,4-diamine
CID 144514733
[6-amino-5-[1-(2-methylpyrazol-3-yl)ethoxy]-3-pyridinyl]boronic acid
CID 164859066
(5-methylsulfanyl-3-pyridinyl)boronic acid;hydrochloride
CID 53398531
pyrazino[2,3-f][1,10]phenanthrolin-6-ylboronic acid
CID 162715170
(2-aminopyrimidin-5-yl)boronic acid;ethanamine
CID 171527121
[6-amino-5-(3-methylphenyl)-3-pyridinyl]boronic acid
CID 164858834
ethane;pyrimidin-5-ylboronic acid
CID 143168754
6-bromo-3-chloro-1-methylpyrazolo[4,3-b]pyridine
CID 84728732
(6-chloro-5-methyl-3-pyridinyl)boronic acid;hydrate
CID 71432814

Frequently Asked Questions

What is the IUPAC name of (3-amino-1-methylpyrazolo[4,3-b]pyridin-6-yl)boronic acid?
The IUPAC name of (3-amino-1-methylpyrazolo[4,3-b]pyridin-6-yl)boronic acid (CID 171809825) is (3-amino-1-methylpyrazolo[4,3-b]pyridin-6-yl)boronic acid.
What is the SMILES notation for (3-amino-1-methylpyrazolo[4,3-b]pyridin-6-yl)boronic acid?
The canonical SMILES for (3-amino-1-methylpyrazolo[4,3-b]pyridin-6-yl)boronic acid is Cn1nc(N)c2ncc(B(O)O)cc21.
What is the InChIKey of (3-amino-1-methylpyrazolo[4,3-b]pyridin-6-yl)boronic acid?
The InChIKey is JIPWTIQHAWQRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BN4O2/c1-12-5-2-4(8(13)14)3-10-6(5)7(9)11-12/h2-3,13-14H,1H3,(H2,9,11).
What are the key properties of (3-amino-1-methylpyrazolo[4,3-b]pyridin-6-yl)boronic acid?
(3-amino-1-methylpyrazolo[4,3-b]pyridin-6-yl)boronic acid has a molecular weight of 191.99 g/mol, XLogP of -1.77, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1-methylpyrazolo[4,3-b]pyridin-6-yl)boronic acid is sourced from PubChem (CID 171809825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).