N-[2-[(3,4-difluorophenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide

C19H16F2N6O — CID 118962193

IUPACN-[2-[(3,4-difluorophenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide
SMILESCn1ncc2cc(CC(=O)Nc3cnn(Cc4ccc(F)c(F)c4)n3)ccc21
InChIInChI=1S/C19H16F2N6O/c1-26-17-5-3-12(6-14(17)9-22-26)8-19(28)24-18-10-23-27(25-18)11-13-2-4-15(20)16(21)7-13/h2-7,9-10H,8,11H2,1H3,(H,24,25,28)
InChIKeyAXNHBUZCZYTXFH-UHFFFAOYSA-N
MW382.37 g/mol
LogP2.67
Rot. Bonds5

About N-[2-[(3,4-difluorophenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide

N-[2-[(3,4-difluorophenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide (PubChem CID 118962193) has the molecular formula C19H16F2N6O and a molecular weight of 382.37 g/mol. Its IUPAC name is N-[2-[(3,4-difluorophenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[2-[(3,4-difluorophenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide
PubChem CID118962193
Molecular FormulaC19H16F2N6O
Molecular Weight382.37 g/mol
Exact Mass382.14
IUPAC NameN-[2-[(3,4-difluorophenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide
SMILESCn1ncc2cc(CC(=O)Nc3cnn(Cc4ccc(F)c(F)c4)n3)ccc21
InChIInChI=1S/C19H16F2N6O/c1-26-17-5-3-12(6-14(17)9-22-26)8-19(28)24-18-10-23-27(25-18)11-13-2-4-15(20)16(21)7-13/h2-7,9-10H,8,11H2,1H3,(H,24,25,28)
InChIKeyAXNHBUZCZYTXFH-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,4-difluorophenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide?
The IUPAC name of N-[2-[(3,4-difluorophenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide (CID 118962193) is N-[2-[(3,4-difluorophenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide.
What is the SMILES notation for N-[2-[(3,4-difluorophenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide?
The canonical SMILES for N-[2-[(3,4-difluorophenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide is Cn1ncc2cc(CC(=O)Nc3cnn(Cc4ccc(F)c(F)c4)n3)ccc21.
What is the InChIKey of N-[2-[(3,4-difluorophenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide?
The InChIKey is AXNHBUZCZYTXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N6O/c1-26-17-5-3-12(6-14(17)9-22-26)8-19(28)24-18-10-23-27(25-18)11-13-2-4-15(20)16(21)7-13/h2-7,9-10H,8,11H2,1H3,(H,24,25,28).
What are the key properties of N-[2-[(3,4-difluorophenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide?
N-[2-[(3,4-difluorophenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide has a molecular weight of 382.37 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,4-difluorophenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide is sourced from PubChem (CID 118962193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).