6-cyclopropyl-N'-(2-fluorobenzoyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbohydrazide

C19H18FN5O2 — CID 31761752

IUPAC6-cyclopropyl-N'-(2-fluorobenzoyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbohydrazide
SMILESCc1nn(C)c2nc(C3CC3)cc(C(=O)NNC(=O)c3ccccc3F)c12
InChIInChI=1S/C19H18FN5O2/c1-10-16-13(9-15(11-7-8-11)21-17(16)25(2)24-10)19(27)23-22-18(26)12-5-3-4-6-14(12)20/h3-6,9,11H,7-8H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyHOCFZLSAGAKYKB-UHFFFAOYSA-N
MW367.38 g/mol
LogP2.37
Rot. Bonds3

About 6-cyclopropyl-N'-(2-fluorobenzoyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbohydrazide

6-cyclopropyl-N'-(2-fluorobenzoyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbohydrazide (PubChem CID 31761752) has the molecular formula C19H18FN5O2 and a molecular weight of 367.38 g/mol. Its IUPAC name is 6-cyclopropyl-N'-(2-fluorobenzoyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbohydrazide.

Molecular Properties

Compound Name6-cyclopropyl-N'-(2-fluorobenzoyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbohydrazide
PubChem CID31761752
Molecular FormulaC19H18FN5O2
Molecular Weight367.38 g/mol
Exact Mass367.14
IUPAC Name6-cyclopropyl-N'-(2-fluorobenzoyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbohydrazide
SMILESCc1nn(C)c2nc(C3CC3)cc(C(=O)NNC(=O)c3ccccc3F)c12
InChIInChI=1S/C19H18FN5O2/c1-10-16-13(9-15(11-7-8-11)21-17(16)25(2)24-10)19(27)23-22-18(26)12-5-3-4-6-14(12)20/h3-6,9,11H,7-8H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyHOCFZLSAGAKYKB-UHFFFAOYSA-N
XLogP2.37
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.37
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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Related Compounds

[4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 60510310
6-cyclopropyl-N'-[2-(4-fluorophenoxy)propanoyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbohydrazide
CID 43043122
6-cyclopropyl-N-[2-(2-fluorophenoxy)-1-phenylethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55799779
6-cyclopropyl-1,3-dimethyl-N-methylsulfonylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 146154521
N-butyl-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46514383
methyl 6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 19616466
6-cyclopropyl-N-(dicyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 36574852
6-cyclopropyl-1,3-dimethyl-N-(3-methyl-2-pyridinyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 31769500
6-cyclopropyl-N-(2-hydroxypropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 110886666
6-cyclopropyl-N-ethoxy-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 52555845
6-cyclopropyl-1,3-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 45148429
6-cyclopropyl-N-[2-(2-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 31700057

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N'-(2-fluorobenzoyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbohydrazide?
The IUPAC name of 6-cyclopropyl-N'-(2-fluorobenzoyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbohydrazide (CID 31761752) is 6-cyclopropyl-N'-(2-fluorobenzoyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbohydrazide.
What is the SMILES notation for 6-cyclopropyl-N'-(2-fluorobenzoyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbohydrazide?
The canonical SMILES for 6-cyclopropyl-N'-(2-fluorobenzoyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbohydrazide is Cc1nn(C)c2nc(C3CC3)cc(C(=O)NNC(=O)c3ccccc3F)c12.
What is the InChIKey of 6-cyclopropyl-N'-(2-fluorobenzoyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbohydrazide?
The InChIKey is HOCFZLSAGAKYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O2/c1-10-16-13(9-15(11-7-8-11)21-17(16)25(2)24-10)19(27)23-22-18(26)12-5-3-4-6-14(12)20/h3-6,9,11H,7-8H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of 6-cyclopropyl-N'-(2-fluorobenzoyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbohydrazide?
6-cyclopropyl-N'-(2-fluorobenzoyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbohydrazide has a molecular weight of 367.38 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N'-(2-fluorobenzoyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbohydrazide is sourced from PubChem (CID 31761752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).