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

C19H22FN5O2 — CID 10248643

IUPAC2-amino-N-[(1S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide
SMILESCC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnc2ccc(F)cn12
InChIInChI=1S/C19H22FN5O2/c1-19(2,21)18(26)22-15(12-27-11-13-6-4-3-5-7-13)17-24-23-16-9-8-14(20)10-25(16)17/h3-10,15H,11-12,21H2,1-2H3,(H,22,26)/t15-/m1/s1
InChIKeyAHGGIKWROSHEQM-OAHLLOKOSA-N
MW371.42 g/mol
LogP1.98
Rot. Bonds7

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

2-amino-N-[(1S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide (PubChem CID 10248643) has the molecular formula C19H22FN5O2 and a molecular weight of 371.42 g/mol. Its IUPAC name is 2-amino-N-[(1S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[(1S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide
PubChem CID10248643
Molecular FormulaC19H22FN5O2
Molecular Weight371.42 g/mol
Exact Mass371.18
IUPAC Name2-amino-N-[(1S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide
SMILESCC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnc2ccc(F)cn12
InChIInChI=1S/C19H22FN5O2/c1-19(2,21)18(26)22-15(12-27-11-13-6-4-3-5-7-13)17-24-23-16-9-8-14(20)10-25(16)17/h3-10,15H,11-12,21H2,1-2H3,(H,22,26)/t15-/m1/s1
InChIKeyAHGGIKWROSHEQM-OAHLLOKOSA-N
XLogP1.98
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide?
The IUPAC name of 2-amino-N-[(1S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide (CID 10248643) is 2-amino-N-[(1S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[(1S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[(1S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide is CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnc2ccc(F)cn12.
What is the InChIKey of 2-amino-N-[(1S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide?
The InChIKey is AHGGIKWROSHEQM-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H22FN5O2/c1-19(2,21)18(26)22-15(12-27-11-13-6-4-3-5-7-13)17-24-23-16-9-8-14(20)10-25(16)17/h3-10,15H,11-12,21H2,1-2H3,(H,22,26)/t15-/m1/s1.
What are the key properties of 2-amino-N-[(1S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide?
2-amino-N-[(1S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide has a molecular weight of 371.42 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide is sourced from PubChem (CID 10248643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).