N-(2-ethyltriazol-4-yl)-2-[5-(2-fluorophenyl)indazol-1-yl]acetamide

C19H17FN6O — CID 46997080

IUPACN-(2-ethyltriazol-4-yl)-2-[5-(2-fluorophenyl)indazol-1-yl]acetamide
SMILESCCn1ncc(NC(=O)Cn2ncc3cc(-c4ccccc4F)ccc32)n1
InChIInChI=1S/C19H17FN6O/c1-2-26-22-11-18(24-26)23-19(27)12-25-17-8-7-13(9-14(17)10-21-25)15-5-3-4-6-16(15)20/h3-11H,2,12H2,1H3,(H,23,24,27)
InChIKeyQHAYOJRGIGHSKH-UHFFFAOYSA-N
MW364.38 g/mol
LogP3.09
Rot. Bonds5

About N-(2-ethyltriazol-4-yl)-2-[5-(2-fluorophenyl)indazol-1-yl]acetamide

N-(2-ethyltriazol-4-yl)-2-[5-(2-fluorophenyl)indazol-1-yl]acetamide (PubChem CID 46997080) has the molecular formula C19H17FN6O and a molecular weight of 364.38 g/mol. Its IUPAC name is N-(2-ethyltriazol-4-yl)-2-[5-(2-fluorophenyl)indazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethyltriazol-4-yl)-2-[5-(2-fluorophenyl)indazol-1-yl]acetamide
PubChem CID46997080
Molecular FormulaC19H17FN6O
Molecular Weight364.38 g/mol
Exact Mass364.14
IUPAC NameN-(2-ethyltriazol-4-yl)-2-[5-(2-fluorophenyl)indazol-1-yl]acetamide
SMILESCCn1ncc(NC(=O)Cn2ncc3cc(-c4ccccc4F)ccc32)n1
InChIInChI=1S/C19H17FN6O/c1-2-26-22-11-18(24-26)23-19(27)12-25-17-8-7-13(9-14(17)10-21-25)15-5-3-4-6-16(15)20/h3-11H,2,12H2,1H3,(H,23,24,27)
InChIKeyQHAYOJRGIGHSKH-UHFFFAOYSA-N
XLogP3.09
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyltriazol-4-yl)-2-[5-(2-fluorophenyl)indazol-1-yl]acetamide?
The IUPAC name of N-(2-ethyltriazol-4-yl)-2-[5-(2-fluorophenyl)indazol-1-yl]acetamide (CID 46997080) is N-(2-ethyltriazol-4-yl)-2-[5-(2-fluorophenyl)indazol-1-yl]acetamide.
What is the SMILES notation for N-(2-ethyltriazol-4-yl)-2-[5-(2-fluorophenyl)indazol-1-yl]acetamide?
The canonical SMILES for N-(2-ethyltriazol-4-yl)-2-[5-(2-fluorophenyl)indazol-1-yl]acetamide is CCn1ncc(NC(=O)Cn2ncc3cc(-c4ccccc4F)ccc32)n1.
What is the InChIKey of N-(2-ethyltriazol-4-yl)-2-[5-(2-fluorophenyl)indazol-1-yl]acetamide?
The InChIKey is QHAYOJRGIGHSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6O/c1-2-26-22-11-18(24-26)23-19(27)12-25-17-8-7-13(9-14(17)10-21-25)15-5-3-4-6-16(15)20/h3-11H,2,12H2,1H3,(H,23,24,27).
What are the key properties of N-(2-ethyltriazol-4-yl)-2-[5-(2-fluorophenyl)indazol-1-yl]acetamide?
N-(2-ethyltriazol-4-yl)-2-[5-(2-fluorophenyl)indazol-1-yl]acetamide has a molecular weight of 364.38 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyltriazol-4-yl)-2-[5-(2-fluorophenyl)indazol-1-yl]acetamide is sourced from PubChem (CID 46997080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).