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

C12H13N3O — CID 83886605

IUPAC2-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)acetaldehyde
SMILESCn1nc(C2CC2)c2cc(CC=O)cnc21
InChIInChI=1S/C12H13N3O/c1-15-12-10(11(14-15)9-2-3-9)6-8(4-5-16)7-13-12/h5-7,9H,2-4H2,1H3
InChIKeyXYHGYESEIOJTAP-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.59
Rot. Bonds3

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

2-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)acetaldehyde (PubChem CID 83886605) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 2-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)acetaldehyde.

Molecular Properties

Compound Name2-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)acetaldehyde
PubChem CID83886605
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name2-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)acetaldehyde
SMILESCn1nc(C2CC2)c2cc(CC=O)cnc21
InChIInChI=1S/C12H13N3O/c1-15-12-10(11(14-15)9-2-3-9)6-8(4-5-16)7-13-12/h5-7,9H,2-4H2,1H3
InChIKeyXYHGYESEIOJTAP-UHFFFAOYSA-N
XLogP1.59
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)acetic acid
CID 83894767
1-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)propan-2-one
CID 83893618
2-amino-2-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)ethanol
CID 83895276
2-cyclopentyl-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]ethanamine
CID 60975729
(1S)-1-cyclopentyl-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]ethanamine
CID 81386392
1-cyclopropyl-2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]ethanol
CID 63772239
N-[2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]ethyl]-2-methylpropanamide
CID 60976315
N-cyclopropyl-3-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]propanamide
CID 78978693
3,5-diethyl-1-methylpyrazolo[3,4-b]pyridine
CID 59824839
2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]propanamide
CID 55032242
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2,6-dimethylpiperidin-1-amine
CID 83009426
cis-(1R,2S)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-methylcyclopropan-1-amine
CID 124542772

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)acetaldehyde?
The IUPAC name of 2-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)acetaldehyde (CID 83886605) is 2-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)acetaldehyde.
What is the SMILES notation for 2-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)acetaldehyde?
The canonical SMILES for 2-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)acetaldehyde is Cn1nc(C2CC2)c2cc(CC=O)cnc21.
What is the InChIKey of 2-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)acetaldehyde?
The InChIKey is XYHGYESEIOJTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-15-12-10(11(14-15)9-2-3-9)6-8(4-5-16)7-13-12/h5-7,9H,2-4H2,1H3.
What are the key properties of 2-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)acetaldehyde?
2-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)acetaldehyde has a molecular weight of 215.26 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 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)acetaldehyde is sourced from PubChem (CID 83886605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).