2-amino-N-[1-[6-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide

C25H26FN5O2 — CID 21076943

IUPAC2-amino-N-[1-[6-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide
SMILESCC(C)(N)C(=O)NC(COCc1ccccc1)c1nnc2ccc(-c3ccccc3F)cn12
InChIInChI=1S/C25H26FN5O2/c1-25(2,27)24(32)28-21(16-33-15-17-8-4-3-5-9-17)23-30-29-22-13-12-18(14-31(22)23)19-10-6-7-11-20(19)26/h3-14,21H,15-16,27H2,1-2H3,(H,28,32)
InChIKeyYBSOJYLSMXKILP-UHFFFAOYSA-N
MW447.51 g/mol
LogP3.65
Rot. Bonds8

About 2-amino-N-[1-[6-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide

2-amino-N-[1-[6-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide (PubChem CID 21076943) has the molecular formula C25H26FN5O2 and a molecular weight of 447.51 g/mol. Its IUPAC name is 2-amino-N-[1-[6-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[1-[6-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide
PubChem CID21076943
Molecular FormulaC25H26FN5O2
Molecular Weight447.51 g/mol
Exact Mass447.21
IUPAC Name2-amino-N-[1-[6-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide
SMILESCC(C)(N)C(=O)NC(COCc1ccccc1)c1nnc2ccc(-c3ccccc3F)cn12
InChIInChI=1S/C25H26FN5O2/c1-25(2,27)24(32)28-21(16-33-15-17-8-4-3-5-9-17)23-30-29-22-13-12-18(14-31(22)23)19-10-6-7-11-20(19)26/h3-14,21H,15-16,27H2,1-2H3,(H,28,32)
InChIKeyYBSOJYLSMXKILP-UHFFFAOYSA-N
XLogP3.65
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[6-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide?
The IUPAC name of 2-amino-N-[1-[6-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide (CID 21076943) is 2-amino-N-[1-[6-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[1-[6-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[1-[6-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide is CC(C)(N)C(=O)NC(COCc1ccccc1)c1nnc2ccc(-c3ccccc3F)cn12.
What is the InChIKey of 2-amino-N-[1-[6-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide?
The InChIKey is YBSOJYLSMXKILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O2/c1-25(2,27)24(32)28-21(16-33-15-17-8-4-3-5-9-17)23-30-29-22-13-12-18(14-31(22)23)19-10-6-7-11-20(19)26/h3-14,21H,15-16,27H2,1-2H3,(H,28,32).
What are the key properties of 2-amino-N-[1-[6-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide?
2-amino-N-[1-[6-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide has a molecular weight of 447.51 g/mol, XLogP of 3.65, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-[6-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide is sourced from PubChem (CID 21076943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).