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

C13H15N3O — CID 83893618

IUPAC1-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)propan-2-one
SMILESCC(=O)Cc1cnc2c(c1)c(C1CC1)nn2C
InChIInChI=1S/C13H15N3O/c1-8(17)5-9-6-11-12(10-3-4-10)15-16(2)13(11)14-7-9/h6-7,10H,3-5H2,1-2H3
InChIKeyXPAMPPNDBSJNAZ-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.98
Rot. Bonds3

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

1-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)propan-2-one (PubChem CID 83893618) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)propan-2-one.

Molecular Properties

Compound Name1-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)propan-2-one
PubChem CID83893618
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name1-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)propan-2-one
SMILESCC(=O)Cc1cnc2c(c1)c(C1CC1)nn2C
InChIInChI=1S/C13H15N3O/c1-8(17)5-9-6-11-12(10-3-4-10)15-16(2)13(11)14-7-9/h6-7,10H,3-5H2,1-2H3
InChIKeyXPAMPPNDBSJNAZ-UHFFFAOYSA-N
XLogP1.98
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)acetic acid
CID 83894767
2-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)acetaldehyde
CID 83886605
1-(1-methylpyrazolo[5,4-b]pyridin-5-yl)propan-2-one
CID 83877089
2-amino-2-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)ethanol
CID 83895276
1-(6-cyclopropyl-3-pyridinyl)propan-2-one
CID 83827442
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
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
3,5-diethyl-1-methylpyrazolo[3,4-b]pyridine
CID 59824839

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)propan-2-one?
The IUPAC name of 1-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)propan-2-one (CID 83893618) is 1-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)propan-2-one.
What is the SMILES notation for 1-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)propan-2-one?
The canonical SMILES for 1-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)propan-2-one is CC(=O)Cc1cnc2c(c1)c(C1CC1)nn2C.
What is the InChIKey of 1-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)propan-2-one?
The InChIKey is XPAMPPNDBSJNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-8(17)5-9-6-11-12(10-3-4-10)15-16(2)13(11)14-7-9/h6-7,10H,3-5H2,1-2H3.
What are the key properties of 1-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)propan-2-one?
1-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)propan-2-one has a molecular weight of 229.28 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)propan-2-one is sourced from PubChem (CID 83893618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).