4-(2H-pyrazolo[3,4-b]pyridin-3-yl)but-3-enoic acid

C10H9N3O2 — CID 170483714

IUPAC4-(2H-pyrazolo[3,4-b]pyridin-3-yl)but-3-enoic acid
SMILESO=C(O)CC=Cc1[nH]nc2ncccc12
InChIInChI=1S/C10H9N3O2/c14-9(15)5-1-4-8-7-3-2-6-11-10(7)13-12-8/h1-4,6H,5H2,(H,14,15)(H,11,12,13)
InChIKeyOIFCAVULECJJFH-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.45
Rot. Bonds3

About 4-(2H-pyrazolo[3,4-b]pyridin-3-yl)but-3-enoic acid

4-(2H-pyrazolo[3,4-b]pyridin-3-yl)but-3-enoic acid (PubChem CID 170483714) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 4-(2H-pyrazolo[3,4-b]pyridin-3-yl)but-3-enoic acid.

Molecular Properties

Compound Name4-(2H-pyrazolo[3,4-b]pyridin-3-yl)but-3-enoic acid
PubChem CID170483714
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name4-(2H-pyrazolo[3,4-b]pyridin-3-yl)but-3-enoic acid
SMILESO=C(O)CC=Cc1[nH]nc2ncccc12
InChIInChI=1S/C10H9N3O2/c14-9(15)5-1-4-8-7-3-2-6-11-10(7)13-12-8/h1-4,6H,5H2,(H,14,15)(H,11,12,13)
InChIKeyOIFCAVULECJJFH-UHFFFAOYSA-N
XLogP1.45
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-en-1-amine
CID 169463700
4-(2H-pyrazolo[3,4-b]pyridin-3-yl)but-3-enal
CID 170482014
N-benzyl-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enamide
CID 69137142
ethyl 3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enoate
CID 76681112
(2S)-3-phenyl-2-[3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enoylamino]propanamide
CID 91131589
4-(7-nitro-2H-indazol-3-yl)but-3-enoic acid
CID 170484352
(2S)-2-amino-3-phenyl-N-[(E)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enoyl]propanamide
CID 69135843
4-(4-chloro-2H-pyrazolo[3,4-d]pyrimidin-3-yl)but-3-enoic acid
CID 170483727
N-[(4-methoxyphenyl)methyl]-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enamide
CID 69136652
1-(2H-pyrazolo[3,4-b]pyridin-3-yl)propan-1-one
CID 134369259
(E)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enamide
CID 25020781
2-[3-(2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]acetic acid
CID 155918517

Frequently Asked Questions

What is the IUPAC name of 4-(2H-pyrazolo[3,4-b]pyridin-3-yl)but-3-enoic acid?
The IUPAC name of 4-(2H-pyrazolo[3,4-b]pyridin-3-yl)but-3-enoic acid (CID 170483714) is 4-(2H-pyrazolo[3,4-b]pyridin-3-yl)but-3-enoic acid.
What is the SMILES notation for 4-(2H-pyrazolo[3,4-b]pyridin-3-yl)but-3-enoic acid?
The canonical SMILES for 4-(2H-pyrazolo[3,4-b]pyridin-3-yl)but-3-enoic acid is O=C(O)CC=Cc1[nH]nc2ncccc12.
What is the InChIKey of 4-(2H-pyrazolo[3,4-b]pyridin-3-yl)but-3-enoic acid?
The InChIKey is OIFCAVULECJJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c14-9(15)5-1-4-8-7-3-2-6-11-10(7)13-12-8/h1-4,6H,5H2,(H,14,15)(H,11,12,13).
What are the key properties of 4-(2H-pyrazolo[3,4-b]pyridin-3-yl)but-3-enoic acid?
4-(2H-pyrazolo[3,4-b]pyridin-3-yl)but-3-enoic acid has a molecular weight of 203.20 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2H-pyrazolo[3,4-b]pyridin-3-yl)but-3-enoic acid is sourced from PubChem (CID 170483714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).