N'-(4-fluorobenzoyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide

C17H16FN5O2 — CID 46523701

IUPACN'-(4-fluorobenzoyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide
SMILESCC(C)n1ncc2cc(C(=O)NNC(=O)c3ccc(F)cc3)cnc21
InChIInChI=1S/C17H16FN5O2/c1-10(2)23-15-12(9-20-23)7-13(8-19-15)17(25)22-21-16(24)11-3-5-14(18)6-4-11/h3-10H,1-2H3,(H,21,24)(H,22,25)
InChIKeyYHHMKWCDLPAISB-UHFFFAOYSA-N
MW341.35 g/mol
LogP2.23
Rot. Bonds3

About N'-(4-fluorobenzoyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide

N'-(4-fluorobenzoyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide (PubChem CID 46523701) has the molecular formula C17H16FN5O2 and a molecular weight of 341.35 g/mol. Its IUPAC name is N'-(4-fluorobenzoyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide.

Molecular Properties

Compound NameN'-(4-fluorobenzoyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide
PubChem CID46523701
Molecular FormulaC17H16FN5O2
Molecular Weight341.35 g/mol
Exact Mass341.13
IUPAC NameN'-(4-fluorobenzoyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide
SMILESCC(C)n1ncc2cc(C(=O)NNC(=O)c3ccc(F)cc3)cnc21
InChIInChI=1S/C17H16FN5O2/c1-10(2)23-15-12(9-20-23)7-13(8-19-15)17(25)22-21-16(24)11-3-5-14(18)6-4-11/h3-10H,1-2H3,(H,21,24)(H,22,25)
InChIKeyYHHMKWCDLPAISB-UHFFFAOYSA-N
XLogP2.23
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(4-fluorobenzoyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide?
The IUPAC name of N'-(4-fluorobenzoyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide (CID 46523701) is N'-(4-fluorobenzoyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide.
What is the SMILES notation for N'-(4-fluorobenzoyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide?
The canonical SMILES for N'-(4-fluorobenzoyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide is CC(C)n1ncc2cc(C(=O)NNC(=O)c3ccc(F)cc3)cnc21.
What is the InChIKey of N'-(4-fluorobenzoyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide?
The InChIKey is YHHMKWCDLPAISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O2/c1-10(2)23-15-12(9-20-23)7-13(8-19-15)17(25)22-21-16(24)11-3-5-14(18)6-4-11/h3-10H,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N'-(4-fluorobenzoyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide?
N'-(4-fluorobenzoyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide has a molecular weight of 341.35 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorobenzoyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide is sourced from PubChem (CID 46523701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).