methyl 2H-pyrazolo[3,4-b]pyridine-3-carboxylate

C8H7N3O2 — CID 52911269

IUPACmethyl 2H-pyrazolo[3,4-b]pyridine-3-carboxylate
SMILESCOC(=O)c1[nH]nc2ncccc12
InChIInChI=1S/C8H7N3O2/c1-13-8(12)6-5-3-2-4-9-7(5)11-10-6/h2-4H,1H3,(H,9,10,11)
InChIKeyKIHDGKDZYCCVBT-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.74
Rot. Bonds1

About methyl 2H-pyrazolo[3,4-b]pyridine-3-carboxylate

methyl 2H-pyrazolo[3,4-b]pyridine-3-carboxylate (PubChem CID 52911269) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is methyl 2H-pyrazolo[3,4-b]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2H-pyrazolo[3,4-b]pyridine-3-carboxylate
PubChem CID52911269
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Namemethyl 2H-pyrazolo[3,4-b]pyridine-3-carboxylate
SMILESCOC(=O)c1[nH]nc2ncccc12
InChIInChI=1S/C8H7N3O2/c1-13-8(12)6-5-3-2-4-9-7(5)11-10-6/h2-4H,1H3,(H,9,10,11)
InChIKeyKIHDGKDZYCCVBT-UHFFFAOYSA-N
XLogP0.74
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 771929
Propan-2-yl 1-(3-methylbenzoyl)pyrazolo[5,4-b]pyridine-3-carboxylate
CID 162652675
methyl 4-(oxan-4-ylamino)-1H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 66828915
methyl 5-(1H-pyrazol-5-ylmethylamino)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 70866181
methyl 5-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 89899385
3-Ethoxycarbonyl-1-(2-fluorbenzyl)-1H-pyrazolo-(3,4,5)-pyridin
CID 11162345
1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 20259118
ethyl 5-fluoro-1-(2-fluorobenzyl)-1H-pyrazolo(3,4-b)pyridine-3-carboxylate
CID 56849011
1H-pyrazolo[3,4-b]pyridine-6-carboxylic acid
CID 67251082
Methyl 3-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
CID 40151910
Ethyl 6-amino-2-(2-phenylethyl)pyrazolo[3,4-d]pyrimidine-4-carboxylate
CID 118732285
Ethyl 6-benzamido-2-propan-2-ylpyrazolo[3,4-d]pyrimidine-4-carboxylate
CID 118732290

Frequently Asked Questions

What is the IUPAC name of methyl 2H-pyrazolo[3,4-b]pyridine-3-carboxylate?
The IUPAC name of methyl 2H-pyrazolo[3,4-b]pyridine-3-carboxylate (CID 52911269) is methyl 2H-pyrazolo[3,4-b]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2H-pyrazolo[3,4-b]pyridine-3-carboxylate?
The canonical SMILES for methyl 2H-pyrazolo[3,4-b]pyridine-3-carboxylate is COC(=O)c1[nH]nc2ncccc12.
What is the InChIKey of methyl 2H-pyrazolo[3,4-b]pyridine-3-carboxylate?
The InChIKey is KIHDGKDZYCCVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c1-13-8(12)6-5-3-2-4-9-7(5)11-10-6/h2-4H,1H3,(H,9,10,11).
What are the key properties of methyl 2H-pyrazolo[3,4-b]pyridine-3-carboxylate?
methyl 2H-pyrazolo[3,4-b]pyridine-3-carboxylate has a molecular weight of 177.16 g/mol, XLogP of 0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2H-pyrazolo[3,4-b]pyridine-3-carboxylate is sourced from PubChem (CID 52911269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).