2-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)acetic acid

C12H13N3O2 — CID 83894767

IUPAC2-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)acetic acid
SMILESCn1nc(C2CC2)c2cc(CC(=O)O)cnc21
InChIInChI=1S/C12H13N3O2/c1-15-12-9(11(14-15)8-2-3-8)4-7(6-13-12)5-10(16)17/h4,6,8H,2-3,5H2,1H3,(H,16,17)
InChIKeyLBJFOALZAIALEF-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.47
Rot. Bonds3

About 2-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)acetic acid

2-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)acetic acid (PubChem CID 83894767) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)acetic acid
PubChem CID83894767
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name2-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)acetic acid
SMILESCn1nc(C2CC2)c2cc(CC(=O)O)cnc21
InChIInChI=1S/C12H13N3O2/c1-15-12-9(11(14-15)8-2-3-8)4-7(6-13-12)5-10(16)17/h4,6,8H,2-3,5H2,1H3,(H,16,17)
InChIKeyLBJFOALZAIALEF-UHFFFAOYSA-N
XLogP1.47
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)propan-2-one
CID 83893618
2-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)acetaldehyde
CID 83886605
2-amino-2-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)ethanol
CID 83895276
2-(6-cyclopropyl-5-fluoro-3-pyridinyl)acetic acid;2-(6-cyclopropyl-5-fluoro-3-pyridinyl)acetonitrile
CID 165402933
2-(1-methylpyrrolo[2,3-b]pyridin-5-yl)acetic acid
CID 118560478
N-cyclopropyl-3-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]propanamide
CID 78978693
2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]propanamide
CID 55032242
2-(3-cyclopropyl-1-propylpyrazol-4-yl)acetic acid
CID 83883734
trans-(1S,2S)-2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]cyclohexan-1-ol
CID 124550232
(1S)-1-cyclopentyl-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]ethanamine
CID 81386392
N-[2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]ethyl]-2-methylpropanamide
CID 60976315
1-cyclopropyl-2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]ethanol
CID 63772239

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)acetic acid?
The IUPAC name of 2-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)acetic acid (CID 83894767) is 2-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)acetic acid.
What is the SMILES notation for 2-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)acetic acid?
The canonical SMILES for 2-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)acetic acid is Cn1nc(C2CC2)c2cc(CC(=O)O)cnc21.
What is the InChIKey of 2-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)acetic acid?
The InChIKey is LBJFOALZAIALEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-15-12-9(11(14-15)8-2-3-8)4-7(6-13-12)5-10(16)17/h4,6,8H,2-3,5H2,1H3,(H,16,17).
What are the key properties of 2-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)acetic acid?
2-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)acetic acid has a molecular weight of 231.25 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)acetic acid is sourced from PubChem (CID 83894767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).