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

C21H22FN5O3 — CID 43043122

IUPAC6-cyclopropyl-N'-[2-(4-fluorophenoxy)propanoyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbohydrazide
SMILESCc1nn(C)c2nc(C3CC3)cc(C(=O)NNC(=O)C(C)Oc3ccc(F)cc3)c12
InChIInChI=1S/C21H22FN5O3/c1-11-18-16(10-17(13-4-5-13)23-19(18)27(3)26-11)21(29)25-24-20(28)12(2)30-15-8-6-14(22)7-9-15/h6-10,12-13H,4-5H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyPGCAEORYKSBSGX-UHFFFAOYSA-N
MW411.44 g/mol
LogP2.52
Rot. Bonds5

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

6-cyclopropyl-N'-[2-(4-fluorophenoxy)propanoyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbohydrazide (PubChem CID 43043122) has the molecular formula C21H22FN5O3 and a molecular weight of 411.44 g/mol. Its IUPAC name is 6-cyclopropyl-N'-[2-(4-fluorophenoxy)propanoyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbohydrazide.

Molecular Properties

Compound Name6-cyclopropyl-N'-[2-(4-fluorophenoxy)propanoyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbohydrazide
PubChem CID43043122
Molecular FormulaC21H22FN5O3
Molecular Weight411.44 g/mol
Exact Mass411.17
IUPAC Name6-cyclopropyl-N'-[2-(4-fluorophenoxy)propanoyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbohydrazide
SMILESCc1nn(C)c2nc(C3CC3)cc(C(=O)NNC(=O)C(C)Oc3ccc(F)cc3)c12
InChIInChI=1S/C21H22FN5O3/c1-11-18-16(10-17(13-4-5-13)23-19(18)27(3)26-11)21(29)25-24-20(28)12(2)30-15-8-6-14(22)7-9-15/h6-10,12-13H,4-5H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyPGCAEORYKSBSGX-UHFFFAOYSA-N
XLogP2.52
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-cyclopropyl-N'-(2-fluorobenzoyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbohydrazide
CID 31761752
2-cyclopropyl-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]quinoline-4-carbohydrazide
CID 9160023
1-tert-butyl-6-cyclopropyl-N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-methylpyrazolo[5,4-b]pyridine-4-carbohydrazide
CID 55790344
6-cyclopropyl-N-(2-hydroxypropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 110886666
6-cyclopropyl-N-[1-(4-ethoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16622505
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
1-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-[(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]thiourea
CID 19588560
6-cyclopropyl-N-ethoxy-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 52555845
6-cyclopropyl-1,3-dimethyl-N-methylsulfonylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 146154521
6-cyclopropyl-N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119055774
6-cyclopropyl-N-[(5-fluorothiophen-2-yl)methylideneamino]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 171130838

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N'-[2-(4-fluorophenoxy)propanoyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbohydrazide?
The IUPAC name of 6-cyclopropyl-N'-[2-(4-fluorophenoxy)propanoyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbohydrazide (CID 43043122) is 6-cyclopropyl-N'-[2-(4-fluorophenoxy)propanoyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbohydrazide.
What is the SMILES notation for 6-cyclopropyl-N'-[2-(4-fluorophenoxy)propanoyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbohydrazide?
The canonical SMILES for 6-cyclopropyl-N'-[2-(4-fluorophenoxy)propanoyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbohydrazide is Cc1nn(C)c2nc(C3CC3)cc(C(=O)NNC(=O)C(C)Oc3ccc(F)cc3)c12.
What is the InChIKey of 6-cyclopropyl-N'-[2-(4-fluorophenoxy)propanoyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbohydrazide?
The InChIKey is PGCAEORYKSBSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O3/c1-11-18-16(10-17(13-4-5-13)23-19(18)27(3)26-11)21(29)25-24-20(28)12(2)30-15-8-6-14(22)7-9-15/h6-10,12-13H,4-5H2,1-3H3,(H,24,28)(H,25,29).
What are the key properties of 6-cyclopropyl-N'-[2-(4-fluorophenoxy)propanoyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbohydrazide?
6-cyclopropyl-N'-[2-(4-fluorophenoxy)propanoyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbohydrazide has a molecular weight of 411.44 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N'-[2-(4-fluorophenoxy)propanoyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbohydrazide is sourced from PubChem (CID 43043122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).