N-(6-fluoro-8-methyl-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide

C18H13F4N5O3 — CID 140764693

IUPACN-(6-fluoro-8-methyl-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
SMILESCc1cc(F)c2c(c1)OCC(NC(=O)c1nc3cccc(C(F)(F)F)n3n1)C(=O)N2
InChIInChI=1S/C18H13F4N5O3/c1-8-5-9(19)14-11(6-8)30-7-10(16(28)25-14)23-17(29)15-24-13-4-2-3-12(18(20,21)22)27(13)26-15/h2-6,10H,7H2,1H3,(H,23,29)(H,25,28)
InChIKeyITKQONDETXTFPJ-UHFFFAOYSA-N
MW423.33 g/mol
LogP2.33
Rot. Bonds2

About N-(6-fluoro-8-methyl-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide

N-(6-fluoro-8-methyl-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide (PubChem CID 140764693) has the molecular formula C18H13F4N5O3 and a molecular weight of 423.33 g/mol. Its IUPAC name is N-(6-fluoro-8-methyl-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(6-fluoro-8-methyl-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
PubChem CID140764693
Molecular FormulaC18H13F4N5O3
Molecular Weight423.33 g/mol
Exact Mass423.10
IUPAC NameN-(6-fluoro-8-methyl-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
SMILESCc1cc(F)c2c(c1)OCC(NC(=O)c1nc3cccc(C(F)(F)F)n3n1)C(=O)N2
InChIInChI=1S/C18H13F4N5O3/c1-8-5-9(19)14-11(6-8)30-7-10(16(28)25-14)23-17(29)15-24-13-4-2-3-12(18(20,21)22)27(13)26-15/h2-6,10H,7H2,1H3,(H,23,29)(H,25,28)
InChIKeyITKQONDETXTFPJ-UHFFFAOYSA-N
XLogP2.33
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.33
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(6-fluoro-8-methyl-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide with MolForge

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Related Compounds

N-[(3R)-6-fluoro-8-methyl-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-5-[(5-methylthiophen-2-yl)methyl]-1H-1,2,4-triazole-3-carboxamide
CID 139444380
5-[(5-aminothiophen-2-yl)methyl]-N-(6-fluoro-8-methyl-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)-1H-1,2,4-triazole-3-carboxamide
CID 134354090
6,8-difluoro-3,5-dihydro-2H-1,5-benzoxazepin-4-one;5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
CID 145225049
N-deuterio-N-[(3S)-6-fluoro-8-methyl-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide
CID 175942738
(5R)-N-[(3S)-6-fluoro-4-hydroxy-8-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide
CID 163503205
5-chloro-4-(2,3-difluorophenyl)-N-[(3S)-8-fluoro-4-oxo-3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepin-3-yl]pyrimidine-2-carboxamide
CID 156843109
5-(cyclopentylmethyl)-N-[(3S)-6-fluoro-8-methyl-4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide
CID 118557262
tert-butyl N-[(3S)-6,8,9-trifluoro-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]carbamate
CID 134412879
tert-butyl N-[(3S)-6-iodo-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]carbamate
CID 139416171
N-[(3S)-8-fluoro-4-oxo-3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepin-3-yl]-4-(2-fluorophenyl)-5-(trideuteriomethyl)pyrimidine-2-carboxamide
CID 156842669
5-benzyl-N-[(3S)-2-oxo-3,4-dihydro-1H-pyridazino[4,5-g][1,5]benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide
CID 166754759
(5S,7R)-N-[(3S)-7,9-difluoro-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide
CID 134607476

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-8-methyl-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide?
The IUPAC name of N-(6-fluoro-8-methyl-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide (CID 140764693) is N-(6-fluoro-8-methyl-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide.
What is the SMILES notation for N-(6-fluoro-8-methyl-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide?
The canonical SMILES for N-(6-fluoro-8-methyl-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide is Cc1cc(F)c2c(c1)OCC(NC(=O)c1nc3cccc(C(F)(F)F)n3n1)C(=O)N2.
What is the InChIKey of N-(6-fluoro-8-methyl-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide?
The InChIKey is ITKQONDETXTFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F4N5O3/c1-8-5-9(19)14-11(6-8)30-7-10(16(28)25-14)23-17(29)15-24-13-4-2-3-12(18(20,21)22)27(13)26-15/h2-6,10H,7H2,1H3,(H,23,29)(H,25,28).
What are the key properties of N-(6-fluoro-8-methyl-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide?
N-(6-fluoro-8-methyl-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide has a molecular weight of 423.33 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-8-methyl-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide is sourced from PubChem (CID 140764693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).