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

C19H16F2N6O — CID 46986829

IUPAC2-[5-(2,5-difluorophenyl)indazol-1-yl]-N-(2-ethyltriazol-4-yl)acetamide
SMILESCCn1ncc(NC(=O)Cn2ncc3cc(-c4cc(F)ccc4F)ccc32)n1
InChIInChI=1S/C19H16F2N6O/c1-2-27-23-10-18(25-27)24-19(28)11-26-17-6-3-12(7-13(17)9-22-26)15-8-14(20)4-5-16(15)21/h3-10H,2,11H2,1H3,(H,24,25,28)
InChIKeyXHTPKMHMLDQZOB-UHFFFAOYSA-N
MW382.37 g/mol
LogP3.23
Rot. Bonds5

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

2-[5-(2,5-difluorophenyl)indazol-1-yl]-N-(2-ethyltriazol-4-yl)acetamide (PubChem CID 46986829) has the molecular formula C19H16F2N6O and a molecular weight of 382.37 g/mol. Its IUPAC name is 2-[5-(2,5-difluorophenyl)indazol-1-yl]-N-(2-ethyltriazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[5-(2,5-difluorophenyl)indazol-1-yl]-N-(2-ethyltriazol-4-yl)acetamide
PubChem CID46986829
Molecular FormulaC19H16F2N6O
Molecular Weight382.37 g/mol
Exact Mass382.14
IUPAC Name2-[5-(2,5-difluorophenyl)indazol-1-yl]-N-(2-ethyltriazol-4-yl)acetamide
SMILESCCn1ncc(NC(=O)Cn2ncc3cc(-c4cc(F)ccc4F)ccc32)n1
InChIInChI=1S/C19H16F2N6O/c1-2-27-23-10-18(25-27)24-19(28)11-26-17-6-3-12(7-13(17)9-22-26)15-8-14(20)4-5-16(15)21/h3-10H,2,11H2,1H3,(H,24,25,28)
InChIKeyXHTPKMHMLDQZOB-UHFFFAOYSA-N
XLogP3.23
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,5-difluorophenyl)indazol-1-yl]-N-(2-ethyltriazol-4-yl)acetamide?
The IUPAC name of 2-[5-(2,5-difluorophenyl)indazol-1-yl]-N-(2-ethyltriazol-4-yl)acetamide (CID 46986829) is 2-[5-(2,5-difluorophenyl)indazol-1-yl]-N-(2-ethyltriazol-4-yl)acetamide.
What is the SMILES notation for 2-[5-(2,5-difluorophenyl)indazol-1-yl]-N-(2-ethyltriazol-4-yl)acetamide?
The canonical SMILES for 2-[5-(2,5-difluorophenyl)indazol-1-yl]-N-(2-ethyltriazol-4-yl)acetamide is CCn1ncc(NC(=O)Cn2ncc3cc(-c4cc(F)ccc4F)ccc32)n1.
What is the InChIKey of 2-[5-(2,5-difluorophenyl)indazol-1-yl]-N-(2-ethyltriazol-4-yl)acetamide?
The InChIKey is XHTPKMHMLDQZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N6O/c1-2-27-23-10-18(25-27)24-19(28)11-26-17-6-3-12(7-13(17)9-22-26)15-8-14(20)4-5-16(15)21/h3-10H,2,11H2,1H3,(H,24,25,28).
What are the key properties of 2-[5-(2,5-difluorophenyl)indazol-1-yl]-N-(2-ethyltriazol-4-yl)acetamide?
2-[5-(2,5-difluorophenyl)indazol-1-yl]-N-(2-ethyltriazol-4-yl)acetamide has a molecular weight of 382.37 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,5-difluorophenyl)indazol-1-yl]-N-(2-ethyltriazol-4-yl)acetamide is sourced from PubChem (CID 46986829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).