2-(7-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide

C17H14ClF3N4O3 — CID 150512552

IUPAC2-(7-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
SMILESC[C@H](NC(=O)Cn1nc2cc(Cl)ccn2c1=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H14ClF3N4O3/c1-10(11-2-4-13(5-3-11)28-17(19,20)21)22-15(26)9-25-16(27)24-7-6-12(18)8-14(24)23-25/h2-8,10H,9H2,1H3,(H,22,26)/t10-/m0/s1
InChIKeyIADVTJHARCIQEO-JTQLQIEISA-N
MW414.77 g/mol
LogP2.93
Rot. Bonds5

About 2-(7-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide

2-(7-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide (PubChem CID 150512552) has the molecular formula C17H14ClF3N4O3 and a molecular weight of 414.77 g/mol. Its IUPAC name is 2-(7-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(7-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
PubChem CID150512552
Molecular FormulaC17H14ClF3N4O3
Molecular Weight414.77 g/mol
Exact Mass414.07
IUPAC Name2-(7-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
SMILESC[C@H](NC(=O)Cn1nc2cc(Cl)ccn2c1=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H14ClF3N4O3/c1-10(11-2-4-13(5-3-11)28-17(19,20)21)22-15(26)9-25-16(27)24-7-6-12(18)8-14(24)23-25/h2-8,10H,9H2,1H3,(H,22,26)/t10-/m0/s1
InChIKeyIADVTJHARCIQEO-JTQLQIEISA-N
XLogP2.93
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.77
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide?
The IUPAC name of 2-(7-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide (CID 150512552) is 2-(7-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-(7-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide?
The canonical SMILES for 2-(7-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide is C[C@H](NC(=O)Cn1nc2cc(Cl)ccn2c1=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-(7-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide?
The InChIKey is IADVTJHARCIQEO-JTQLQIEISA-N. The full InChI is InChI=1S/C17H14ClF3N4O3/c1-10(11-2-4-13(5-3-11)28-17(19,20)21)22-15(26)9-25-16(27)24-7-6-12(18)8-14(24)23-25/h2-8,10H,9H2,1H3,(H,22,26)/t10-/m0/s1.
What are the key properties of 2-(7-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide?
2-(7-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide has a molecular weight of 414.77 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide is sourced from PubChem (CID 150512552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).