N-[2-[(4-fluorophenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide

C19H17FN6O — CID 118962006

IUPACN-[2-[(4-fluorophenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide
SMILESCn1ncc2cc(CC(=O)Nc3cnn(Cc4ccc(F)cc4)n3)ccc21
InChIInChI=1S/C19H17FN6O/c1-25-17-7-4-14(8-15(17)10-21-25)9-19(27)23-18-11-22-26(24-18)12-13-2-5-16(20)6-3-13/h2-8,10-11H,9,12H2,1H3,(H,23,24,27)
InChIKeySHGNOAYOFPYVLZ-UHFFFAOYSA-N
MW364.38 g/mol
LogP2.53
Rot. Bonds5

About N-[2-[(4-fluorophenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide

N-[2-[(4-fluorophenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide (PubChem CID 118962006) has the molecular formula C19H17FN6O and a molecular weight of 364.38 g/mol. Its IUPAC name is N-[2-[(4-fluorophenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[2-[(4-fluorophenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide
PubChem CID118962006
Molecular FormulaC19H17FN6O
Molecular Weight364.38 g/mol
Exact Mass364.14
IUPAC NameN-[2-[(4-fluorophenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide
SMILESCn1ncc2cc(CC(=O)Nc3cnn(Cc4ccc(F)cc4)n3)ccc21
InChIInChI=1S/C19H17FN6O/c1-25-17-7-4-14(8-15(17)10-21-25)9-19(27)23-18-11-22-26(24-18)12-13-2-5-16(20)6-3-13/h2-8,10-11H,9,12H2,1H3,(H,23,24,27)
InChIKeySHGNOAYOFPYVLZ-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-fluorophenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide?
The IUPAC name of N-[2-[(4-fluorophenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide (CID 118962006) is N-[2-[(4-fluorophenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide.
What is the SMILES notation for N-[2-[(4-fluorophenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide?
The canonical SMILES for N-[2-[(4-fluorophenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide is Cn1ncc2cc(CC(=O)Nc3cnn(Cc4ccc(F)cc4)n3)ccc21.
What is the InChIKey of N-[2-[(4-fluorophenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide?
The InChIKey is SHGNOAYOFPYVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6O/c1-25-17-7-4-14(8-15(17)10-21-25)9-19(27)23-18-11-22-26(24-18)12-13-2-5-16(20)6-3-13/h2-8,10-11H,9,12H2,1H3,(H,23,24,27).
What are the key properties of N-[2-[(4-fluorophenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide?
N-[2-[(4-fluorophenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide has a molecular weight of 364.38 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-fluorophenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide is sourced from PubChem (CID 118962006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).