N-(2-fluorophenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide

C18H12FN5O — CID 53006193

IUPACN-(2-fluorophenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
SMILESO=C(Nc1ccccc1F)c1ccc(-n2nnc3cccnc32)cc1
InChIInChI=1S/C18H12FN5O/c19-14-4-1-2-5-15(14)21-18(25)12-7-9-13(10-8-12)24-17-16(22-23-24)6-3-11-20-17/h1-11H,(H,21,25)
InChIKeyRGNVHJCGEFXHHD-UHFFFAOYSA-N
MW333.33 g/mol
LogP3.21
Rot. Bonds3

About N-(2-fluorophenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide

N-(2-fluorophenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide (PubChem CID 53006193) has the molecular formula C18H12FN5O and a molecular weight of 333.33 g/mol. Its IUPAC name is N-(2-fluorophenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
PubChem CID53006193
Molecular FormulaC18H12FN5O
Molecular Weight333.33 g/mol
Exact Mass333.10
IUPAC NameN-(2-fluorophenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
SMILESO=C(Nc1ccccc1F)c1ccc(-n2nnc3cccnc32)cc1
InChIInChI=1S/C18H12FN5O/c19-14-4-1-2-5-15(14)21-18(25)12-7-9-13(10-8-12)24-17-16(22-23-24)6-3-11-20-17/h1-11H,(H,21,25)
InChIKeyRGNVHJCGEFXHHD-UHFFFAOYSA-N
XLogP3.21
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?
The IUPAC name of N-(2-fluorophenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide (CID 53006193) is N-(2-fluorophenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide.
What is the SMILES notation for N-(2-fluorophenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?
The canonical SMILES for N-(2-fluorophenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide is O=C(Nc1ccccc1F)c1ccc(-n2nnc3cccnc32)cc1.
What is the InChIKey of N-(2-fluorophenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?
The InChIKey is RGNVHJCGEFXHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN5O/c19-14-4-1-2-5-15(14)21-18(25)12-7-9-13(10-8-12)24-17-16(22-23-24)6-3-11-20-17/h1-11H,(H,21,25).
What are the key properties of N-(2-fluorophenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?
N-(2-fluorophenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide has a molecular weight of 333.33 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide is sourced from PubChem (CID 53006193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).