N'-acetyl-2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]acetohydrazide

C17H14F3N5O2 — CID 155388788

IUPACN'-acetyl-2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]acetohydrazide
SMILESCC(=O)NNC(=O)Cn1ncc2ncc(-c3ccc(F)c(C(F)F)c3)cc21
InChIInChI=1S/C17H14F3N5O2/c1-9(26)23-24-16(27)8-25-15-5-11(6-21-14(15)7-22-25)10-2-3-13(18)12(4-10)17(19)20/h2-7,17H,8H2,1H3,(H,23,26)(H,24,27)
InChIKeyIXAVYFZUGGZRGC-UHFFFAOYSA-N
MW377.33 g/mol
LogP2.34
Rot. Bonds4

About N'-acetyl-2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]acetohydrazide

N'-acetyl-2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]acetohydrazide (PubChem CID 155388788) has the molecular formula C17H14F3N5O2 and a molecular weight of 377.33 g/mol. Its IUPAC name is N'-acetyl-2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]acetohydrazide.

Molecular Properties

Compound NameN'-acetyl-2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]acetohydrazide
PubChem CID155388788
Molecular FormulaC17H14F3N5O2
Molecular Weight377.33 g/mol
Exact Mass377.11
IUPAC NameN'-acetyl-2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]acetohydrazide
SMILESCC(=O)NNC(=O)Cn1ncc2ncc(-c3ccc(F)c(C(F)F)c3)cc21
InChIInChI=1S/C17H14F3N5O2/c1-9(26)23-24-16(27)8-25-15-5-11(6-21-14(15)7-22-25)10-2-3-13(18)12(4-10)17(19)20/h2-7,17H,8H2,1H3,(H,23,26)(H,24,27)
InChIKeyIXAVYFZUGGZRGC-UHFFFAOYSA-N
XLogP2.34
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.33
LogP ≤ 52.34
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

3-[2-Fluoro-5-(trifluoromethyl)phenyl]-1-(pyrazin-2-ylmethyl)indazole
CID 73504556
3-[2-Fluoro-5-(trifluoromethyl)phenyl]-7-methyl-1-(pyrazin-2-ylmethyl)indazole
CID 73504557
N-(2-(2,5-difluorophenyl)-5-methylpyridin-4-yl)-1H-pyrazolo[4,3-b]pyridin-7-amine
CID 54671061
7-Fluoro-3-[2-fluoro-5-(trifluoromethyl)phenyl]-1-(pyrazin-2-ylmethyl)indazole
CID 134611927
2-[7-[[2-(5-Chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide
CID 54670034
2-[7-[[2-(5-Chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide
CID 54670129
2-[7-[[2-(5-Chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]acetamide
CID 54670130
N-(2-(2,5-difluorophenyl)pyridin-4-yl)-1H-pyrazolo[4,3-b]pyridin-7-amine
CID 54670693
2-[7-[[2-(2,5-Difluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]acetamide
CID 54670694
2-[7-[[2-(2,5-Difluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide
CID 54670695
N-[2-(2-fluoro-5-methylphenyl)-4-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-7-amine
CID 67470496
US10377753, Example 175
CID 124176028

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]acetohydrazide?
The IUPAC name of N'-acetyl-2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]acetohydrazide (CID 155388788) is N'-acetyl-2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]acetohydrazide.
What is the SMILES notation for N'-acetyl-2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]acetohydrazide?
The canonical SMILES for N'-acetyl-2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]acetohydrazide is CC(=O)NNC(=O)Cn1ncc2ncc(-c3ccc(F)c(C(F)F)c3)cc21.
What is the InChIKey of N'-acetyl-2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]acetohydrazide?
The InChIKey is IXAVYFZUGGZRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5O2/c1-9(26)23-24-16(27)8-25-15-5-11(6-21-14(15)7-22-25)10-2-3-13(18)12(4-10)17(19)20/h2-7,17H,8H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N'-acetyl-2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]acetohydrazide?
N'-acetyl-2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]acetohydrazide has a molecular weight of 377.33 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]acetohydrazide is sourced from PubChem (CID 155388788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).