3,3-difluoro-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)butan-1-one

C10H13F2N3O — CID 126773974

IUPAC3,3-difluoro-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)butan-1-one
SMILESCC(F)(F)CC(=O)N1CCCc2[nH]ncc21
InChIInChI=1S/C10H13F2N3O/c1-10(11,12)5-9(16)15-4-2-3-7-8(15)6-13-14-7/h6H,2-5H2,1H3,(H,13,14)
InChIKeyAPYOGWCXQXBMLX-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.73
Rot. Bonds2

About 3,3-difluoro-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)butan-1-one

3,3-difluoro-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)butan-1-one (PubChem CID 126773974) has the molecular formula C10H13F2N3O and a molecular weight of 229.23 g/mol. Its IUPAC name is 3,3-difluoro-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)butan-1-one.

Molecular Properties

Compound Name3,3-difluoro-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)butan-1-one
PubChem CID126773974
Molecular FormulaC10H13F2N3O
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name3,3-difluoro-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)butan-1-one
SMILESCC(F)(F)CC(=O)N1CCCc2[nH]ncc21
InChIInChI=1S/C10H13F2N3O/c1-10(11,12)5-9(16)15-4-2-3-7-8(15)6-13-14-7/h6H,2-5H2,1H3,(H,13,14)
InChIKeyAPYOGWCXQXBMLX-UHFFFAOYSA-N
XLogP1.73
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,3-difluoro-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)butan-1-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

tert-butyl 2H,4H,5H,6H,7H-pyrazolo[4,3-b]pyridine-4-carboxylate
CID 71299236
Pyrazolopiperidinone
CID 69129225
1-[(2S)-2-hydroxy-3-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)propyl]pyrrolidin-2-one
CID 122155597
[(1R)-2,2-difluorocyclopropyl]-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone
CID 164632703
1-[1-(1-fluoroethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-(2-methylhydrazinyl)ethanone
CID 147392310
2,2,2-trifluoro-N-(5-methyl-1H-pyrazol-4-yl)-N-piperidin-3-ylacetamide;hydrochloride
CID 155225346
Trifluoromethyl 1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carboxylate
CID 155644253
Pyrazolopiperidinone hydrochloride
CID 129765333
[(3S,4S)-1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone
CID 120965655
(2,2-Difluorocyclopropyl)-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone
CID 126790747
(2-Fluoro-1-methylcyclopropyl)-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone
CID 126791079
2-[3-(1,5,6,7-Tetrahydropyrazolo[4,5-b]pyridin-4-yl)propyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 126824153

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)butan-1-one?
The IUPAC name of 3,3-difluoro-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)butan-1-one (CID 126773974) is 3,3-difluoro-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)butan-1-one.
What is the SMILES notation for 3,3-difluoro-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)butan-1-one?
The canonical SMILES for 3,3-difluoro-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)butan-1-one is CC(F)(F)CC(=O)N1CCCc2[nH]ncc21.
What is the InChIKey of 3,3-difluoro-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)butan-1-one?
The InChIKey is APYOGWCXQXBMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3O/c1-10(11,12)5-9(16)15-4-2-3-7-8(15)6-13-14-7/h6H,2-5H2,1H3,(H,13,14).
What are the key properties of 3,3-difluoro-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)butan-1-one?
3,3-difluoro-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)butan-1-one has a molecular weight of 229.23 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)butan-1-one is sourced from PubChem (CID 126773974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).