N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide

C16H12FN7O — CID 154806277

IUPACN-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
SMILESCn1cnc(-c2ccc(C(=O)Nc3nc4ccc(F)cn4n3)cc2)n1
InChIInChI=1S/C16H12FN7O/c1-23-9-18-14(21-23)10-2-4-11(5-3-10)15(25)20-16-19-13-7-6-12(17)8-24(13)22-16/h2-9H,1H3,(H,20,22,25)
InChIKeySGQKXYXPRKWIFB-UHFFFAOYSA-N
MW337.32 g/mol
LogP1.92
Rot. Bonds3

About N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide

N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide (PubChem CID 154806277) has the molecular formula C16H12FN7O and a molecular weight of 337.32 g/mol. Its IUPAC name is N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide.

Molecular Properties

Compound NameN-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
PubChem CID154806277
Molecular FormulaC16H12FN7O
Molecular Weight337.32 g/mol
Exact Mass337.11
IUPAC NameN-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
SMILESCn1cnc(-c2ccc(C(=O)Nc3nc4ccc(F)cn4n3)cc2)n1
InChIInChI=1S/C16H12FN7O/c1-23-9-18-14(21-23)10-2-4-11(5-3-10)15(25)20-16-19-13-7-6-12(17)8-24(13)22-16/h2-9H,1H3,(H,20,22,25)
InChIKeySGQKXYXPRKWIFB-UHFFFAOYSA-N
XLogP1.92
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.32
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide?
The IUPAC name of N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide (CID 154806277) is N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide.
What is the SMILES notation for N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide?
The canonical SMILES for N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide is Cn1cnc(-c2ccc(C(=O)Nc3nc4ccc(F)cn4n3)cc2)n1.
What is the InChIKey of N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide?
The InChIKey is SGQKXYXPRKWIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN7O/c1-23-9-18-14(21-23)10-2-4-11(5-3-10)15(25)20-16-19-13-7-6-12(17)8-24(13)22-16/h2-9H,1H3,(H,20,22,25).
What are the key properties of N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide?
N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide has a molecular weight of 337.32 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide is sourced from PubChem (CID 154806277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).