2-(7-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(5-fluoro-6-methyl-3-pyridinyl)ethyl]acetamide

C16H15ClFN5O2 — CID 147634500

IUPAC2-(7-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(5-fluoro-6-methyl-3-pyridinyl)ethyl]acetamide
SMILESCc1ncc([C@H](C)NC(=O)Cn2nc3cc(Cl)ccn3c2=O)cc1F
InChIInChI=1S/C16H15ClFN5O2/c1-9(11-5-13(18)10(2)19-7-11)20-15(24)8-23-16(25)22-4-3-12(17)6-14(22)21-23/h3-7,9H,8H2,1-2H3,(H,20,24)/t9-/m0/s1
InChIKeyGGJBQRTYFZGSPU-VIFPVBQESA-N
MW363.78 g/mol
LogP1.87
Rot. Bonds4

About 2-(7-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(5-fluoro-6-methyl-3-pyridinyl)ethyl]acetamide

2-(7-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(5-fluoro-6-methyl-3-pyridinyl)ethyl]acetamide (PubChem CID 147634500) has the molecular formula C16H15ClFN5O2 and a molecular weight of 363.78 g/mol. Its IUPAC name is 2-(7-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(5-fluoro-6-methyl-3-pyridinyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(7-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(5-fluoro-6-methyl-3-pyridinyl)ethyl]acetamide
PubChem CID147634500
Molecular FormulaC16H15ClFN5O2
Molecular Weight363.78 g/mol
Exact Mass363.09
IUPAC Name2-(7-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(5-fluoro-6-methyl-3-pyridinyl)ethyl]acetamide
SMILESCc1ncc([C@H](C)NC(=O)Cn2nc3cc(Cl)ccn3c2=O)cc1F
InChIInChI=1S/C16H15ClFN5O2/c1-9(11-5-13(18)10(2)19-7-11)20-15(24)8-23-16(25)22-4-3-12(17)6-14(22)21-23/h3-7,9H,8H2,1-2H3,(H,20,24)/t9-/m0/s1
InChIKeyGGJBQRTYFZGSPU-VIFPVBQESA-N
XLogP1.87
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.78
LogP ≤ 51.87
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-(5-fluoro-6-methyl-3-pyridinyl)ethyl]acetamide?
The IUPAC name of 2-(7-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(5-fluoro-6-methyl-3-pyridinyl)ethyl]acetamide (CID 147634500) is 2-(7-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(5-fluoro-6-methyl-3-pyridinyl)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-(5-fluoro-6-methyl-3-pyridinyl)ethyl]acetamide?
The canonical SMILES for 2-(7-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(5-fluoro-6-methyl-3-pyridinyl)ethyl]acetamide is Cc1ncc([C@H](C)NC(=O)Cn2nc3cc(Cl)ccn3c2=O)cc1F.
What is the InChIKey of 2-(7-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(5-fluoro-6-methyl-3-pyridinyl)ethyl]acetamide?
The InChIKey is GGJBQRTYFZGSPU-VIFPVBQESA-N. The full InChI is InChI=1S/C16H15ClFN5O2/c1-9(11-5-13(18)10(2)19-7-11)20-15(24)8-23-16(25)22-4-3-12(17)6-14(22)21-23/h3-7,9H,8H2,1-2H3,(H,20,24)/t9-/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-(5-fluoro-6-methyl-3-pyridinyl)ethyl]acetamide?
2-(7-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(5-fluoro-6-methyl-3-pyridinyl)ethyl]acetamide has a molecular weight of 363.78 g/mol, XLogP of 1.87, 4 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-(5-fluoro-6-methyl-3-pyridinyl)ethyl]acetamide is sourced from PubChem (CID 147634500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).