2-(4-fluorophenyl)-N-[4-[2-[[4-methyl-6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide

C29H24FN7O3 — CID 54769273

IUPAC2-(4-fluorophenyl)-N-[4-[2-[[4-methyl-6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide
SMILESCc1cc(N2CCOC2=O)ncc1Nc1nc2ccc(-c3ccc(NC(=O)Cc4ccc(F)cc4)cc3)cn2n1
InChIInChI=1S/C29H24FN7O3/c1-18-14-26(36-12-13-40-29(36)39)31-16-24(18)33-28-34-25-11-6-21(17-37(25)35-28)20-4-9-23(10-5-20)32-27(38)15-19-2-7-22(30)8-3-19/h2-11,14,16-17H,12-13,15H2,1H3,(H,32,38)(H,33,35)
InChIKeyXBPVWRUBTGNYIT-UHFFFAOYSA-N
MW537.56 g/mol
LogP5.12
Rot. Bonds7

About 2-(4-fluorophenyl)-N-[4-[2-[[4-methyl-6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide

2-(4-fluorophenyl)-N-[4-[2-[[4-methyl-6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide (PubChem CID 54769273) has the molecular formula C29H24FN7O3 and a molecular weight of 537.56 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[4-[2-[[4-methyl-6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[4-[2-[[4-methyl-6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide
PubChem CID54769273
Molecular FormulaC29H24FN7O3
Molecular Weight537.56 g/mol
Exact Mass537.19
IUPAC Name2-(4-fluorophenyl)-N-[4-[2-[[4-methyl-6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide
SMILESCc1cc(N2CCOC2=O)ncc1Nc1nc2ccc(-c3ccc(NC(=O)Cc4ccc(F)cc4)cc3)cn2n1
InChIInChI=1S/C29H24FN7O3/c1-18-14-26(36-12-13-40-29(36)39)31-16-24(18)33-28-34-25-11-6-21(17-37(25)35-28)20-4-9-23(10-5-20)32-27(38)15-19-2-7-22(30)8-3-19/h2-11,14,16-17H,12-13,15H2,1H3,(H,32,38)(H,33,35)
InChIKeyXBPVWRUBTGNYIT-UHFFFAOYSA-N
XLogP5.12
TPSA113.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.56
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(4-fluorophenyl)-N-[4-[2-[[4-methyl-6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[4-[2-[[4-methyl-6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[4-[2-[[4-methyl-6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide (CID 54769273) is 2-(4-fluorophenyl)-N-[4-[2-[[4-methyl-6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[4-[2-[[4-methyl-6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[4-[2-[[4-methyl-6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide is Cc1cc(N2CCOC2=O)ncc1Nc1nc2ccc(-c3ccc(NC(=O)Cc4ccc(F)cc4)cc3)cn2n1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[4-[2-[[4-methyl-6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide?
The InChIKey is XBPVWRUBTGNYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24FN7O3/c1-18-14-26(36-12-13-40-29(36)39)31-16-24(18)33-28-34-25-11-6-21(17-37(25)35-28)20-4-9-23(10-5-20)32-27(38)15-19-2-7-22(30)8-3-19/h2-11,14,16-17H,12-13,15H2,1H3,(H,32,38)(H,33,35).
What are the key properties of 2-(4-fluorophenyl)-N-[4-[2-[[4-methyl-6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide?
2-(4-fluorophenyl)-N-[4-[2-[[4-methyl-6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide has a molecular weight of 537.56 g/mol, XLogP of 5.12, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[4-[2-[[4-methyl-6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide is sourced from PubChem (CID 54769273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).