6-cyclopropyl-1-[(5-methylfuran-2-yl)methyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
Basic information
- CAS
953905-94-7- Standard SMILES
Cc1ccc(Cn2ncc3c(C(=O)O)cc(C4CC4)nc32)o1- InChIKey
KPDPUJVMUXNWBA-UHFFFAOYSA-N- Molecular formula
- C16H15N3O3
- Average molar mass
- 297.31 g/mol
- Monoisotopic mass
- 297.11134135
Names & identifiers
- Preferred name
- 6-cyclopropyl-1-[(5-methylfuran-2-yl)methyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
- IUPAC
- 6-cyclopropyl-1-[(5-methylfuran-2-yl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid
Names & synonyms
6-cyclopropyl-1-[(5-methylfuran-2-yl)methyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid953905-94-76-cyclopropyl-1-((5-methylfuran-2-yl)methyl)-1H-pyrazolo(3,4-b)pyridine-4-carboxylic acidRefChem:542038889-523-06-cyclopropyl-1-[(5-methylfuran-2-yl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acidDNB90594AKOS008096135CS-0251735EN300-55917G58587Z240122848
Show more names
6-cyclopropyl-1-[(5-methylfuran-2-yl)methyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxylicacid
Database identifiers
- CAS
953905-94-7- PubChem CID
- 16784646
- EC Number
- 889-523-0
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 81.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 442
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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