2-(2-hydroxyethyl)-N-[[4-[(4R)-4-hydroxy-2-oxopyrrolidin-1-yl]-2-(trifluoromethoxy)phenyl]methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C21H20F3N5O6 — CID 70865517

IUPAC2-(2-hydroxyethyl)-N-[[4-[(4R)-4-hydroxy-2-oxopyrrolidin-1-yl]-2-(trifluoromethoxy)phenyl]methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESO=C(NCc1ccc(N2C[C@H](O)CC2=O)cc1OC(F)(F)F)c1ccc2nn(CCO)c(=O)n2c1
InChIInChI=1S/C21H20F3N5O6/c22-21(23,24)35-16-7-14(27-11-15(31)8-18(27)32)3-1-12(16)9-25-19(33)13-2-4-17-26-29(5-6-30)20(34)28(17)10-13/h1-4,7,10,15,30-31H,5-6,8-9,11H2,(H,25,33)/t15-/m1/s1
InChIKeyVIXOWXKPWLFFOV-OAHLLOKOSA-N
MW495.41 g/mol
LogP0.41
Rot. Bonds7

About 2-(2-hydroxyethyl)-N-[[4-[(4R)-4-hydroxy-2-oxopyrrolidin-1-yl]-2-(trifluoromethoxy)phenyl]methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

2-(2-hydroxyethyl)-N-[[4-[(4R)-4-hydroxy-2-oxopyrrolidin-1-yl]-2-(trifluoromethoxy)phenyl]methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 70865517) has the molecular formula C21H20F3N5O6 and a molecular weight of 495.41 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-N-[[4-[(4R)-4-hydroxy-2-oxopyrrolidin-1-yl]-2-(trifluoromethoxy)phenyl]methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-N-[[4-[(4R)-4-hydroxy-2-oxopyrrolidin-1-yl]-2-(trifluoromethoxy)phenyl]methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID70865517
Molecular FormulaC21H20F3N5O6
Molecular Weight495.41 g/mol
Exact Mass495.14
IUPAC Name2-(2-hydroxyethyl)-N-[[4-[(4R)-4-hydroxy-2-oxopyrrolidin-1-yl]-2-(trifluoromethoxy)phenyl]methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESO=C(NCc1ccc(N2C[C@H](O)CC2=O)cc1OC(F)(F)F)c1ccc2nn(CCO)c(=O)n2c1
InChIInChI=1S/C21H20F3N5O6/c22-21(23,24)35-16-7-14(27-11-15(31)8-18(27)32)3-1-12(16)9-25-19(33)13-2-4-17-26-29(5-6-30)20(34)28(17)10-13/h1-4,7,10,15,30-31H,5-6,8-9,11H2,(H,25,33)/t15-/m1/s1
InChIKeyVIXOWXKPWLFFOV-OAHLLOKOSA-N
XLogP0.41
TPSA138.40 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.41
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-N-[[4-[(4R)-4-hydroxy-2-oxopyrrolidin-1-yl]-2-(trifluoromethoxy)phenyl]methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of 2-(2-hydroxyethyl)-N-[[4-[(4R)-4-hydroxy-2-oxopyrrolidin-1-yl]-2-(trifluoromethoxy)phenyl]methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 70865517) is 2-(2-hydroxyethyl)-N-[[4-[(4R)-4-hydroxy-2-oxopyrrolidin-1-yl]-2-(trifluoromethoxy)phenyl]methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for 2-(2-hydroxyethyl)-N-[[4-[(4R)-4-hydroxy-2-oxopyrrolidin-1-yl]-2-(trifluoromethoxy)phenyl]methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for 2-(2-hydroxyethyl)-N-[[4-[(4R)-4-hydroxy-2-oxopyrrolidin-1-yl]-2-(trifluoromethoxy)phenyl]methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is O=C(NCc1ccc(N2C[C@H](O)CC2=O)cc1OC(F)(F)F)c1ccc2nn(CCO)c(=O)n2c1.
What is the InChIKey of 2-(2-hydroxyethyl)-N-[[4-[(4R)-4-hydroxy-2-oxopyrrolidin-1-yl]-2-(trifluoromethoxy)phenyl]methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is VIXOWXKPWLFFOV-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H20F3N5O6/c22-21(23,24)35-16-7-14(27-11-15(31)8-18(27)32)3-1-12(16)9-25-19(33)13-2-4-17-26-29(5-6-30)20(34)28(17)10-13/h1-4,7,10,15,30-31H,5-6,8-9,11H2,(H,25,33)/t15-/m1/s1.
What are the key properties of 2-(2-hydroxyethyl)-N-[[4-[(4R)-4-hydroxy-2-oxopyrrolidin-1-yl]-2-(trifluoromethoxy)phenyl]methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
2-(2-hydroxyethyl)-N-[[4-[(4R)-4-hydroxy-2-oxopyrrolidin-1-yl]-2-(trifluoromethoxy)phenyl]methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 495.41 g/mol, XLogP of 0.41, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-N-[[4-[(4R)-4-hydroxy-2-oxopyrrolidin-1-yl]-2-(trifluoromethoxy)phenyl]methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 70865517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).